# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1916923'
loop_
_audit_author_name
_audit_author_address
'Youzhu Yu'
;Anyang Institute of Technology
China
;
_audit_update_record             
;
2019-07-17 deposited with the CCDC.	2019-08-07 downloaded from the CCDC.
;
_audit_creation_date             2019-07-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C134 H100 Ag2 O38 P2 Ti8, 2(C2 H3 N)'
_chemical_formula_sum            'C138 H106 Ag2 N2 O38 P2 Ti8'
_chemical_formula_weight         3061.12
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N P Ag Ti '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2191 1.8069 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.2611(3)
_cell_length_b                   18.0847(5)
_cell_length_c                   26.3595(8)
_cell_angle_alpha                90
_cell_angle_beta                 92.723(2)
_cell_angle_gamma                90
_cell_volume                     6790.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4778
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.2210
_cell_measurement_theta_min      5.0520
_shelx_estimated_absorpt_T_max   0.516
_shelx_estimated_absorpt_T_min   0.276
_exptl_absorpt_coefficient_mu    6.943
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.32922
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.32a (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3104
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_unetI/netI     0.0589
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            26992
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.444
_diffrn_reflns_theta_min         3.950
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0710
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -20.00  22.00   1.00    3.72    --    0.00  57.00-180.00   42
  2  ω    -74.00 -49.00   1.00    3.72    --    0.00 178.00   0.00   25
  3  ω    -72.00 -46.00   1.00    3.72    --    0.00 178.00 -60.00   26
  4  ω     39.00  68.00   1.00    3.72    --    0.00  57.00-180.00   29
  5  ω     35.00 124.00   1.00    3.89    --   55.26  57.00-180.00   89
  6  ω     50.00  76.00   1.00    3.89    --   55.26  57.00  30.00   26
  7  ω     39.00 124.00   1.00    3.89    --   55.26  57.00  60.00   85
  8  ω    -12.00  76.00   1.00    3.89    --   55.26 -57.00 -90.00   88
  9  ω    136.00 178.00   1.00    4.00    --  110.51  50.00  90.00   42
 10  ω     89.00 116.00   1.00    4.00    --  110.51  50.00  90.00   27
 11  ω     46.00  71.00   1.00    4.00    --  110.51-111.00-120.00   25
 12  ω     45.00 127.00   1.00    4.00    --  110.51 -64.00 -90.00   82
 13  ω     39.00 114.00   1.00    4.00    --  110.51-111.00  90.00   75
 14  ω     44.00 115.00   1.00    4.00    --  110.51-111.00 -60.00   71
 15  ω     89.00 116.00   1.00    4.00    --  110.51  25.00  90.00   27
 16  ω     56.00 123.00   1.00    4.00    --  110.51 -50.00  60.00   67
 17  ω     92.00 137.00   1.00    4.00    --  110.51  50.00 120.00   45
 18  ω     61.00 119.00   1.00    4.00    --  110.51 -92.00 150.00   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0386705000
_diffrn_orient_matrix_UB_12      -0.0631861000
_diffrn_orient_matrix_UB_13      0.0321800000
_diffrn_orient_matrix_UB_21      0.1006875000
_diffrn_orient_matrix_UB_22      -0.0201561000
_diffrn_orient_matrix_UB_23      0.0188575000
_diffrn_orient_matrix_UB_31      -0.0078015000
_diffrn_orient_matrix_UB_32      0.0535316000
_diffrn_orient_matrix_UB_33      0.0450472000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9115
_reflns_number_total             13157
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.651
_refine_diff_density_min         -0.582
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     785
_refine_ls_number_reflns         13157
_refine_ls_number_restraints     673
_refine_ls_R_factor_all          0.0806
_refine_ls_R_factor_gt           0.0511
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0616P)²+3.3948P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1252
_refine_ls_wR_factor_ref         0.1458
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N1-C69
 1.15 with sigma of 0.01
 C68-C69
 1.47 with sigma of 0.01
3. Rigid bond restraints
 O18, C61
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C6, C7
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C18, C19
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14, C15, C16, C17,
 C18, C19, C20, C21, C22, C23, C24, C25, C26, C27, C28, C29, C30, C31, C32, C33,
  C34, C35, C36, C37, C38, C39, C40, C41, C42, C43, C44, C45, C46, C47, C48,
 C49, C50, C51, C52, C53, C54, C55, C56, C57, C58, C59, C60, C61, C62, C63, C64,
  C65, C66, C67, C68, C69
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25
\\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33
\\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41
\\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49
\\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57
\\sim C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65
\\sim C66 \\sim C67 \\sim C68 \\sim C69: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(C5) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C19) \\sim
Ueq, Uanis(C24) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C26) \\sim Ueq,
Uanis(C27) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C65)
\\sim Ueq, Uanis(C66) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.01
Uanis(O17) \\sim Ueq, Uanis(O19) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C23)
\\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C55) \\sim Ueq,
Uanis(C62) \\sim Ueq, Uanis(C69) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
5.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33),
 C34(H34), C35(H35), C37(H37), C38(H38), C39(H39), C40(H40), C41(H41), C43(H43),
  C44(H44), C45(H45), C46(H46), C47(H47), C49(H49), C50(H50), C51(H51),
 C52(H52), C53(H53), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60), C63(H63),
  C64(H64), C65(H65), C66(H66), C67(H67)
5.b Fitted hexagon refined as free rotating group:
 C2(C3,C4,C5,C6,C7), C16(C17,C18,C19,C20,C21), C23(C24,C25,C26,C27,C28),
 C30(C31,C32,C33,C34,C35), C55(C56,C57,C58,C59,C60), C62(C63,C64,C65,C66,C67)
5.c Idealised Me refined as rotating group:
 C68(H68A,H68B,H68C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.44862(3) 0.20076(2) 0.46145(2) 0.07442(15) Uani 1 1 d . . . . .
Ti1 Ti 0.61968(4) 0.43222(4) 0.53338(3) 0.03705(16) Uani 1 1 d . . . . .
Ti2 Ti 0.48467(5) 0.52697(4) 0.58337(3) 0.03665(16) Uani 1 1 d . . . . .
Ti3 Ti 0.40236(5) 0.34452(4) 0.55595(3) 0.04147(17) Uani 1 1 d . . . . .
Ti4 Ti 0.31789(5) 0.37871(4) 0.46285(3) 0.04457(18) Uani 1 1 d . . . . .
P1 P 0.58087(9) 0.14299(7) 0.43019(5) 0.0578(3) Uani 1 1 d . . . . .
C1 C 0.5809(4) 0.6523(3) 0.63413(17) 0.0577(12) Uani 1 1 d . U . . .
C2 C 0.5727(3) 0.6923(2) 0.68234(13) 0.0803(15) Uani 1 1 d . U . . .
C3 C 0.4852(3) 0.7059(3) 0.70148(15) 0.0871(17) Uani 1 1 d G U . . .
H3 H 0.4311 0.6896 0.6838 0.104 Uiso 1 1 calc R . . . .
C4 C 0.4785(4) 0.7439(3) 0.74701(17) 0.121(2) Uani 1 1 d G U . . .
H4 H 0.4200 0.7530 0.7598 0.146 Uiso 1 1 calc R . . . .
C5 C 0.5594(5) 0.7682(3) 0.77341(15) 0.154(3) Uani 1 1 d G U . . .
H5 H 0.5549 0.7936 0.8039 0.184 Uiso 1 1 calc R . . . .
C6 C 0.6469(4) 0.7547(4) 0.75427(19) 0.168(3) Uani 1 1 d G U . . .
H6 H 0.7010 0.7710 0.7719 0.201 Uiso 1 1 calc R . . . .
C7 C 0.6535(3) 0.7167(3) 0.70874(19) 0.136(2) Uani 1 1 d G U . . .
H7 H 0.7121 0.7076 0.6959 0.163 Uiso 1 1 calc R . . . .
C8 C 0.6437(3) 0.4572(3) 0.64734(16) 0.0489(10) Uani 1 1 d . U . . .
C9 C 0.7074(3) 0.4561(3) 0.69403(17) 0.0571(11) Uani 1 1 d . U . . .
C10 C 0.6898(4) 0.5016(4) 0.73490(18) 0.0744(14) Uani 1 1 d . U . . .
H10 H 0.6363 0.5310 0.7343 0.089 Uiso 1 1 calc R . . . .
C11 C 0.7535(5) 0.5027(5) 0.7771(2) 0.0933(18) Uani 1 1 d . U . . .
H11 H 0.7420 0.5332 0.8046 0.112 Uiso 1 1 calc R . . . .
C12 C 0.8304(5) 0.4605(5) 0.7784(2) 0.099(2) Uani 1 1 d . U . . .
H12 H 0.8728 0.4630 0.8063 0.119 Uiso 1 1 calc R . . . .
C13 C 0.8478(5) 0.4135(4) 0.7391(3) 0.0970(19) Uani 1 1 d . U . . .
H13 H 0.9000 0.3826 0.7410 0.116 Uiso 1 1 calc R . . . .
C14 C 0.7865(4) 0.4123(4) 0.6962(2) 0.0777(15) Uani 1 1 d . U . . .
H14 H 0.7992 0.3817 0.6690 0.093 Uiso 1 1 calc R . . . .
C15 C 0.8157(3) 0.4907(3) 0.54613(16) 0.0495(11) Uani 1 1 d . U . . .
C16 C 0.91356(16) 0.4638(2) 0.55427(14) 0.0584(12) Uani 1 1 d . U . . .
C17 C 0.9852(2) 0.51270(19) 0.56859(15) 0.0845(16) Uani 1 1 d G U . . .
H17 H 0.9719 0.5626 0.5730 0.101 Uiso 1 1 calc R . . . .
C18 C 1.07665(19) 0.4871(3) 0.57626(16) 0.1013(19) Uani 1 1 d G U . . .
H18 H 1.1246 0.5199 0.5858 0.122 Uiso 1 1 calc R . . . .
C19 C 1.09654(18) 0.4126(3) 0.56960(17) 0.0991(19) Uani 1 1 d G U . . .
H19 H 1.1577 0.3955 0.5747 0.119 Uiso 1 1 calc R . . . .
C20 C 1.0249(3) 0.3637(2) 0.55528(17) 0.1031(19) Uani 1 1 d G U . . .
H20 H 1.0382 0.3138 0.5508 0.124 Uiso 1 1 calc R . . . .
C21 C 0.9334(2) 0.3892(2) 0.54761(15) 0.0840(16) Uani 1 1 d G U . . .
H21 H 0.8855 0.3565 0.5380 0.101 Uiso 1 1 calc R . . . .
C22 C 0.6006(3) 0.2831(2) 0.57409(17) 0.0477(10) Uani 1 1 d . U . . .
C23 C 0.6726(2) 0.2410(2) 0.60261(14) 0.0635(12) Uani 1 1 d . U . . .
C24 C 0.7661(3) 0.2504(2) 0.59137(15) 0.0955(18) Uani 1 1 d G U . . .
H24 H 0.7815 0.2793 0.5638 0.115 Uiso 1 1 calc R . . . .
C25 C 0.8366(2) 0.2165(3) 0.6213(2) 0.118(2) Uani 1 1 d G U . . .
H25 H 0.8991 0.2228 0.6138 0.141 Uiso 1 1 calc R . . . .
C26 C 0.8135(3) 0.1733(3) 0.66249(18) 0.124(2) Uani 1 1 d G U . . .
H26 H 0.8607 0.1506 0.6825 0.149 Uiso 1 1 calc R . . . .
C27 C 0.7200(3) 0.1639(3) 0.67373(16) 0.123(2) Uani 1 1 d G U . . .
H27 H 0.7046 0.1349 0.7013 0.147 Uiso 1 1 calc R . . . .
C28 C 0.6496(2) 0.1977(3) 0.64379(16) 0.0971(19) Uani 1 1 d G U . . .
H28 H 0.5870 0.1914 0.6513 0.117 Uiso 1 1 calc R . . . .
C29 C 0.3435(3) 0.4432(3) 0.64342(15) 0.0470(10) Uani 1 1 d . U . . .
C30 C 0.2684(2) 0.4514(2) 0.67989(13) 0.0583(11) Uani 1 1 d . U . . .
C31 C 0.2526(3) 0.51950(19) 0.70236(16) 0.0887(17) Uani 1 1 d G U . . .
H31 H 0.2911 0.5595 0.6957 0.106 Uiso 1 1 calc R . . . .
C32 C 0.1793(3) 0.5278(2) 0.73479(19) 0.125(2) Uani 1 1 d G U . . .
H32 H 0.1687 0.5734 0.7498 0.150 Uiso 1 1 calc R . . . .
C33 C 0.1217(3) 0.4680(3) 0.74475(19) 0.136(3) Uani 1 1 d G U . . .
H33 H 0.0727 0.4736 0.7664 0.163 Uiso 1 1 calc R . . . .
C34 C 0.1376(3) 0.3999(2) 0.7223(2) 0.125(2) Uani 1 1 d G U . . .
H34 H 0.0991 0.3599 0.7289 0.150 Uiso 1 1 calc R . . . .
C35 C 0.2109(3) 0.39158(18) 0.68985(17) 0.0904(18) Uani 1 1 d G U . . .
H35 H 0.2215 0.3460 0.6748 0.108 Uiso 1 1 calc R . . . .
C36 C 0.6608(4) 0.2027(3) 0.3974(2) 0.0649(13) Uani 1 1 d . U . . .
C37 C 0.6759(4) 0.2736(3) 0.4178(2) 0.0710(14) Uani 1 1 d . U . . .
H37 H 0.6441 0.2887 0.4460 0.085 Uiso 1 1 calc R . . . .
C38 C 0.7385(4) 0.3210(4) 0.3957(3) 0.0902(18) Uani 1 1 d . U . . .
H38 H 0.7500 0.3677 0.4095 0.108 Uiso 1 1 calc R . . . .
C39 C 0.7836(5) 0.2987(4) 0.3531(3) 0.104(2) Uani 1 1 d . U . . .
H39 H 0.8260 0.3304 0.3385 0.125 Uiso 1 1 calc R . . . .
C40 C 0.7665(5) 0.2303(4) 0.3322(3) 0.105(2) Uani 1 1 d . U . . .
H40 H 0.7958 0.2164 0.3030 0.126 Uiso 1 1 calc R . . . .
C41 C 0.7060(5) 0.1823(3) 0.3547(3) 0.0871(17) Uani 1 1 d . U . . .
H41 H 0.6955 0.1356 0.3408 0.105 Uiso 1 1 calc R . . . .
C42 C 0.6527(4) 0.0997(3) 0.4804(2) 0.0659(13) Uani 1 1 d . U . . .
C43 C 0.7501(4) 0.1019(4) 0.4826(3) 0.0892(17) Uani 1 1 d . U . . .
H43 H 0.7814 0.1252 0.4570 0.107 Uiso 1 1 calc R . . . .
C44 C 0.8007(5) 0.0695(5) 0.5228(3) 0.110(2) Uani 1 1 d . U . . .
H44 H 0.8659 0.0721 0.5243 0.132 Uiso 1 1 calc R . . . .
C45 C 0.7562(6) 0.0339(5) 0.5600(3) 0.119(2) Uani 1 1 d . U . . .
H45 H 0.7905 0.0115 0.5867 0.143 Uiso 1 1 calc R . . . .
C46 C 0.6615(6) 0.0314(5) 0.5580(3) 0.121(2) Uani 1 1 d . U . . .
H46 H 0.6307 0.0069 0.5834 0.145 Uiso 1 1 calc R . . . .
C47 C 0.6099(5) 0.0644(4) 0.5191(3) 0.0980(19) Uani 1 1 d . U . . .
H47 H 0.5447 0.0628 0.5189 0.118 Uiso 1 1 calc R . . . .
C48 C 0.5502(4) 0.0698(3) 0.3853(2) 0.0701(13) Uani 1 1 d . U . . .
C49 C 0.5840(5) -0.0017(3) 0.3897(3) 0.0839(16) Uani 1 1 d . U . . .
H49 H 0.6259 -0.0138 0.4165 0.101 Uiso 1 1 calc R . . . .
C50 C 0.5564(6) -0.0551(4) 0.3550(3) 0.105(2) Uani 1 1 d . U . . .
H50 H 0.5775 -0.1035 0.3590 0.127 Uiso 1 1 calc R . . . .
C51 C 0.4985(6) -0.0365(5) 0.3152(3) 0.111(2) Uani 1 1 d . U . . .
H51 H 0.4832 -0.0721 0.2908 0.133 Uiso 1 1 calc R . . . .
C52 C 0.4613(6) 0.0333(4) 0.3095(3) 0.111(2) Uani 1 1 d . U . . .
H52 H 0.4198 0.0446 0.2824 0.133 Uiso 1 1 calc R . . . .
C53 C 0.4879(5) 0.0869(4) 0.3458(3) 0.0921(18) Uani 1 1 d . U . . .
H53 H 0.4631 0.1344 0.3431 0.111 Uiso 1 1 calc R . . . .
C54 C 0.3089(4) 0.1939(3) 0.5569(2) 0.0644(13) Uani 1 1 d . U . . .
C55 C 0.2226(2) 0.1605(2) 0.57624(16) 0.0667(13) Uani 1 1 d . U . . .
C56 C 0.1795(3) 0.1921(2) 0.61719(16) 0.0862(17) Uani 1 1 d G U . . .
H56 H 0.2050 0.2342 0.6327 0.103 Uiso 1 1 calc R . . . .
C57 C 0.0984(3) 0.1608(3) 0.63495(17) 0.109(2) Uani 1 1 d G U . . .
H57 H 0.0695 0.1819 0.6623 0.131 Uiso 1 1 calc R . . . .
C58 C 0.0603(3) 0.0978(3) 0.6118(2) 0.120(2) Uani 1 1 d G U . . .
H58 H 0.0060 0.0769 0.6236 0.144 Uiso 1 1 calc R . . . .
C59 C 0.1034(3) 0.0663(2) 0.5708(2) 0.127(2) Uani 1 1 d G U . . .
H59 H 0.0779 0.0242 0.5553 0.152 Uiso 1 1 calc R . . . .
C60 C 0.1846(3) 0.0976(2) 0.55305(16) 0.103(2) Uani 1 1 d G U . . .
H60 H 0.2134 0.0765 0.5257 0.123 Uiso 1 1 calc R . . . .
C61 C 0.2295(4) 0.2351(3) 0.4308(2) 0.0674(13) Uani 1 1 d . U . . .
C62 C 0.1363(2) 0.2037(2) 0.41915(16) 0.0662(12) Uani 1 1 d . U . . .
C63 C 0.0568(3) 0.2346(2) 0.43915(17) 0.0942(18) Uani 1 1 d G U . . .
H63 H 0.0622 0.2765 0.4596 0.113 Uiso 1 1 calc R . . . .
C64 C -0.0308(2) 0.2030(3) 0.4286(2) 0.124(2) Uani 1 1 d G U . . .
H64 H -0.0840 0.2237 0.4420 0.148 Uiso 1 1 calc R . . . .
C65 C -0.0389(2) 0.1404(3) 0.3981(2) 0.127(2) Uani 1 1 d G U . . .
H65 H -0.0975 0.1193 0.3910 0.152 Uiso 1 1 calc R . . . .
C66 C 0.0406(3) 0.1095(2) 0.3781(2) 0.117(2) Uani 1 1 d G U . . .
H66 H 0.0351 0.0677 0.3576 0.141 Uiso 1 1 calc R . . . .
C67 C 0.1282(2) 0.1411(2) 0.38862(18) 0.0909(18) Uani 1 1 d G U . . .
H67 H 0.1813 0.1204 0.3752 0.109 Uiso 1 1 calc R . . . .
C68 C 0.8956(9) 0.6143(7) 0.6750(4) 0.188(5) Uani 1 1 d D U . . .
H68A H 0.8357 0.6021 0.6878 0.282 Uiso 1 1 calc GR . . . .
H68B H 0.9310 0.5698 0.6705 0.282 Uiso 1 1 calc GR . . . .
H68C H 0.8866 0.6392 0.6429 0.282 Uiso 1 1 calc GR . . . .
C69 C 0.9462(10) 0.6621(8) 0.7107(5) 0.161(4) Uani 1 1 d D U . . .
N1 N 0.9814(11) 0.7086(9) 0.7354(6) 0.282(8) Uani 1 1 d D . . . .
O1 O 0.75716(18) 0.44628(18) 0.52475(12) 0.0497(7) Uani 1 1 d . . . . .
O2 O 0.7958(2) 0.55497(19) 0.56040(12) 0.0553(8) Uani 1 1 d . . . . .
O3 O 0.6702(2) 0.42154(18) 0.60965(11) 0.0504(7) Uani 1 1 d . . . . .
O4 O 0.60100(16) 0.53379(15) 0.54971(10) 0.0363(6) Uani 1 1 d . . . . .
O5 O 0.5690(2) 0.49463(18) 0.64829(10) 0.0505(7) Uani 1 1 d . . . . .
O6 O 0.5047(2) 0.62520(17) 0.61483(11) 0.0500(7) Uani 1 1 d . . . . .
O7 O 0.6582(2) 0.6466(2) 0.61438(13) 0.0632(9) Uani 1 1 d . . . . .
O8 O 0.3797(2) 0.50265(17) 0.62794(11) 0.0486(7) Uani 1 1 d . . . . .
O9 O 0.3646(2) 0.38000(18) 0.62855(11) 0.0538(8) Uani 1 1 d . . . . .
O10 O 0.49432(16) 0.42768(14) 0.55875(9) 0.0342(5) Uani 1 1 d . . . . .
O11 O 0.59312(17) 0.43519(15) 0.46619(10) 0.0373(6) Uani 1 1 d . . . . .
O12 O 0.6266(2) 0.32351(16) 0.53721(11) 0.0462(7) Uani 1 1 d . . . . .
O13 O 0.5165(2) 0.28108(17) 0.58681(12) 0.0530(8) Uani 1 1 d . . . . .
O14 O 0.30366(17) 0.40068(15) 0.52881(11) 0.0413(6) Uani 1 1 d . . . . .
O15 O 0.41871(18) 0.32139(15) 0.48971(11) 0.0439(6) Uani 1 1 d . . . . .
O16 O 0.3292(2) 0.25900(18) 0.57344(13) 0.0600(9) Uani 1 1 d . . . . .
O17 O 0.3557(3) 0.1585(2) 0.52728(19) 0.0974(15) Uani 1 1 d . U . . .
O18 O 0.2303(2) 0.29714(19) 0.45518(13) 0.0608(9) Uani 1 1 d . U . . .
O19 O 0.2995(3) 0.2007(3) 0.4175(2) 0.0957(14) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P1 2.3400(12) . ?
Ag1 O15 2.351(3) . ?
Ag1 O17 2.360(4) . ?
Ag1 O19 2.372(4) . ?
Ti1 O1 2.001(3) . ?
Ti1 O3 2.112(3) . ?
Ti1 O4 1.908(3) . ?
Ti1 O10 1.940(2) . ?
Ti1 O11 1.794(3) . ?
Ti1 O12 1.971(3) . ?
Ti2 O4 1.922(2) . ?
Ti2 O5 2.126(3) . ?
Ti2 O6 1.976(3) . ?
Ti2 O8 1.995(3) . ?
Ti2 O10 1.916(3) . ?
Ti2 O11 1.807(3) 3_666 ?
Ti3 O9 2.112(3) . ?
Ti3 O10 1.994(3) . ?
Ti3 O13 2.121(3) . ?
Ti3 O14 1.852(3) . ?
Ti3 O15 1.821(3) . ?
Ti3 O16 1.934(3) . ?
Ti4 O2 2.085(3) 3_666 ?
Ti4 O4 1.997(3) 3_666 ?
Ti4 O7 2.130(3) 3_666 ?
Ti4 O14 1.804(3) . ?
Ti4 O15 1.883(3) . ?
Ti4 O18 1.938(3) . ?
P1 C36 1.818(5) . ?
P1 C42 1.813(6) . ?
P1 C48 1.815(6) . ?
C1 C2 1.472(5) . ?
C1 O6 1.275(5) . ?
C1 O7 1.246(6) . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 H3 0.9300 . ?
C3 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 H7 0.9300 . ?
C8 C9 1.494(6) . ?
C8 O3 1.257(5) . ?
C8 O5 1.265(5) . ?
C9 C10 1.387(7) . ?
C9 C14 1.378(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.403(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.336(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.372(10) . ?
C13 H13 0.9300 . ?
C13 C14 1.395(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.484(4) . ?
C15 O1 1.270(5) . ?
C15 O2 1.259(6) . ?
C16 C17 1.3900 . ?
C16 C21 1.3900 . ?
C17 H17 0.9300 . ?
C17 C18 1.3900 . ?
C18 H18 0.9300 . ?
C18 C19 1.3900 . ?
C19 H19 0.9300 . ?
C19 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C21 1.3900 . ?
C21 H21 0.9300 . ?
C22 C23 1.458(5) . ?
C22 O12 1.285(5) . ?
C22 O13 1.262(5) . ?
C23 C24 1.3900 . ?
C23 C28 1.3900 . ?
C24 H24 0.9300 . ?
C24 C25 1.3900 . ?
C25 H25 0.9300 . ?
C25 C26 1.3900 . ?
C26 H26 0.9300 . ?
C26 C27 1.3900 . ?
C27 H27 0.9300 . ?
C27 C28 1.3900 . ?
C28 H28 0.9300 . ?
C29 C30 1.480(5) . ?
C29 O8 1.269(5) . ?
C29 O9 1.250(5) . ?
C30 C31 1.3900 . ?
C30 C35 1.3900 . ?
C31 H31 0.9300 . ?
C31 C32 1.3900 . ?
C32 H32 0.9300 . ?
C32 C33 1.3900 . ?
C33 H33 0.9300 . ?
C33 C34 1.3900 . ?
C34 H34 0.9300 . ?
C34 C35 1.3900 . ?
C35 H35 0.9300 . ?
C36 C37 1.403(7) . ?
C36 C41 1.374(7) . ?
C37 H37 0.9300 . ?
C37 C38 1.385(8) . ?
C38 H38 0.9300 . ?
C38 C39 1.381(9) . ?
C39 H39 0.9300 . ?
C39 C40 1.370(9) . ?
C40 H40 0.9300 . ?
C40 C41 1.378(8) . ?
C41 H41 0.9300 . ?
C42 C43 1.388(8) . ?
C42 C47 1.370(8) . ?
C43 H43 0.9300 . ?
C43 C44 1.383(9) . ?
C44 H44 0.9300 . ?
C44 C45 1.355(11) . ?
C45 H45 0.9300 . ?
C45 C46 1.350(10) . ?
C46 H46 0.9300 . ?
C46 C47 1.370(10) . ?
C47 H47 0.9300 . ?
C48 C49 1.383(8) . ?
C48 C53 1.370(9) . ?
C49 H49 0.9300 . ?
C49 C50 1.374(9) . ?
C50 H50 0.9300 . ?
C50 C51 1.346(11) . ?
C51 H51 0.9300 . ?
C51 C52 1.374(11) . ?
C52 H52 0.9300 . ?
C52 C53 1.403(9) . ?
C53 H53 0.9300 . ?
C54 C55 1.482(6) . ?
C54 O16 1.283(6) . ?
C54 O17 1.232(6) . ?
C55 C56 1.3900 . ?
C55 C60 1.3900 . ?
C56 H56 0.9300 . ?
C56 C57 1.3900 . ?
C57 H57 0.9300 . ?
C57 C58 1.3900 . ?
C58 H58 0.9300 . ?
C58 C59 1.3900 . ?
C59 H59 0.9300 . ?
C59 C60 1.3900 . ?
C60 H60 0.9300 . ?
C61 C62 1.465(5) . ?
C61 O18 1.293(6) . ?
C61 O19 1.241(6) . ?
C62 C63 1.3900 . ?
C62 C67 1.3900 . ?
C63 H63 0.9300 . ?
C63 C64 1.3900 . ?
C64 H64 0.9300 . ?
C64 C65 1.3900 . ?
C65 H65 0.9300 . ?
C65 C66 1.3900 . ?
C66 H66 0.9300 . ?
C66 C67 1.3900 . ?
C67 H67 0.9300 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C68 C69 1.446(8) . ?
C69 N1 1.162(9) . ?
O2 Ti4 2.085(3) 3_666 ?
O4 Ti4 1.997(3) 3_666 ?
O7 Ti4 2.130(3) 3_666 ?
O11 Ti2 1.808(3) 3_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 O15 133.42(7) . . ?
P1 Ag1 O17 127.18(12) . . ?
P1 Ag1 O19 123.13(11) . . ?
O15 Ag1 O17 87.18(12) . . ?
O15 Ag1 O19 89.04(12) . . ?
O17 Ag1 O19 80.64(18) . . ?
O1 Ti1 O3 80.09(12) . . ?
O4 Ti1 O1 92.95(12) . . ?
O4 Ti1 O3 85.31(12) . . ?
O4 Ti1 O10 79.76(11) . . ?
O4 Ti1 O12 162.91(12) . . ?
O10 Ti1 O1 165.61(12) . . ?
O10 Ti1 O3 86.92(11) . . ?
O10 Ti1 O12 89.14(11) . . ?
O11 Ti1 O1 92.64(12) . . ?
O11 Ti1 O3 171.42(12) . . ?
O11 Ti1 O4 99.72(12) . . ?
O11 Ti1 O10 100.76(11) . . ?
O11 Ti1 O12 95.06(12) . . ?
O12 Ti1 O1 94.90(13) . . ?
O12 Ti1 O3 81.13(13) . . ?
O4 Ti2 O5 85.51(11) . . ?
O4 Ti2 O6 91.45(12) . . ?
O4 Ti2 O8 166.90(12) . . ?
O6 Ti2 O5 81.05(13) . . ?
O6 Ti2 O8 92.78(13) . . ?
O8 Ti2 O5 82.91(12) . . ?
O10 Ti2 O4 80.00(11) . . ?
O10 Ti2 O5 88.16(12) . . ?
O10 Ti2 O6 166.75(12) . . ?
O10 Ti2 O8 93.49(12) . . ?
O11 Ti2 O4 98.96(11) 3_666 . ?
O11 Ti2 O5 171.85(12) 3_666 . ?
O11 Ti2 O6 91.97(13) 3_666 . ?
O11 Ti2 O8 93.28(12) 3_666 . ?
O11 Ti2 O10 99.30(11) 3_666 . ?
O9 Ti3 O13 92.33(13) . . ?
O10 Ti3 O9 86.15(12) . . ?
O10 Ti3 O13 84.41(11) . . ?
O14 Ti3 O9 87.80(12) . . ?
O14 Ti3 O10 95.00(11) . . ?
O14 Ti3 O13 179.38(13) . . ?
O14 Ti3 O16 96.99(14) . . ?
O15 Ti3 O9 171.17(13) . . ?
O15 Ti3 O10 95.44(11) . . ?
O15 Ti3 O13 96.46(13) . . ?
O15 Ti3 O14 83.41(13) . . ?
O15 Ti3 O16 98.04(14) . . ?
O16 Ti3 O9 82.14(14) . . ?
O16 Ti3 O10 162.87(14) . . ?
O16 Ti3 O13 83.62(14) . . ?
O2 Ti4 O7 90.00(14) 3_666 3_666 ?
O4 Ti4 O2 86.78(12) 3_666 3_666 ?
O4 Ti4 O7 83.76(12) 3_666 3_666 ?
O14 Ti4 O2 92.01(13) . 3_666 ?
O14 Ti4 O4 94.47(12) . 3_666 ?
O14 Ti4 O7 177.25(12) . 3_666 ?
O14 Ti4 O15 82.98(12) . . ?
O14 Ti4 O18 99.60(14) . . ?
O15 Ti4 O2 175.00(13) . 3_666 ?
O15 Ti4 O4 93.48(11) . 3_666 ?
O15 Ti4 O7 95.00(14) . 3_666 ?
O15 Ti4 O18 95.57(14) . . ?
O18 Ti4 O2 85.34(14) . 3_666 ?
O18 Ti4 O4 164.09(14) . 3_666 ?
O18 Ti4 O7 82.43(14) . 3_666 ?
C36 P1 Ag1 115.87(17) . . ?
C42 P1 Ag1 111.89(17) . . ?
C42 P1 C36 105.0(3) . . ?
C42 P1 C48 105.8(3) . . ?
C48 P1 Ag1 112.4(2) . . ?
C48 P1 C36 105.1(3) . . ?
O6 C1 C2 115.6(4) . . ?
O7 C1 C2 120.6(4) . . ?
O7 C1 O6 123.8(4) . . ?
C3 C2 C1 120.6(3) . . ?
C3 C2 C7 120.0 . . ?
C7 C2 C1 119.4(3) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C7 C6 H6 120.0 . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 H7 120.0 . . ?
O3 C8 C9 116.8(4) . . ?
O3 C8 O5 125.1(4) . . ?
O5 C8 C9 118.1(4) . . ?
C10 C9 C8 120.5(5) . . ?
C14 C9 C8 120.4(5) . . ?
C14 C9 C10 119.1(5) . . ?
C9 C10 H10 120.3 . . ?
C9 C10 C11 119.4(6) . . ?
C11 C10 H10 120.3 . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.8(7) . . ?
C12 C11 H11 119.6 . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.8(6) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 120.2 . . ?
C12 C13 C14 119.6(6) . . ?
C14 C13 H13 120.2 . . ?
C9 C14 C13 120.3(6) . . ?
C9 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
O1 C15 C16 116.8(4) . . ?
O2 C15 C16 118.9(4) . . ?
O2 C15 O1 124.3(4) . . ?
C17 C16 C15 120.3(3) . . ?
C17 C16 C21 120.0 . . ?
C21 C16 C15 119.7(3) . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C16 C21 H21 120.0 . . ?
C20 C21 C16 120.0 . . ?
C20 C21 H21 120.0 . . ?
O12 C22 C23 117.7(4) . . ?
O13 C22 C23 120.2(4) . . ?
O13 C22 O12 122.0(4) . . ?
C24 C23 C22 119.0(3) . . ?
C24 C23 C28 120.0 . . ?
C28 C23 C22 120.6(3) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
C23 C28 H28 120.0 . . ?
C27 C28 C23 120.0 . . ?
C27 C28 H28 120.0 . . ?
O8 C29 C30 116.2(4) . . ?
O9 C29 C30 119.2(4) . . ?
O9 C29 O8 124.5(4) . . ?
C31 C30 C29 120.2(3) . . ?
C31 C30 C35 120.0 . . ?
C35 C30 C29 119.8(3) . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C30 C35 H35 120.0 . . ?
C34 C35 C30 120.0 . . ?
C34 C35 H35 120.0 . . ?
C37 C36 P1 116.7(4) . . ?
C41 C36 P1 124.0(4) . . ?
C41 C36 C37 119.3(5) . . ?
C36 C37 H37 120.1 . . ?
C38 C37 C36 119.7(5) . . ?
C38 C37 H37 120.1 . . ?
C37 C38 H38 120.2 . . ?
C39 C38 C37 119.6(6) . . ?
C39 C38 H38 120.2 . . ?
C38 C39 H39 119.7 . . ?
C40 C39 C38 120.7(6) . . ?
C40 C39 H39 119.7 . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 119.9(6) . . ?
C41 C40 H40 120.0 . . ?
C36 C41 C40 120.7(6) . . ?
C36 C41 H41 119.6 . . ?
C40 C41 H41 119.6 . . ?
C43 C42 P1 123.2(5) . . ?
C47 C42 P1 119.2(5) . . ?
C47 C42 C43 117.5(6) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 C42 120.3(7) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 119.7 . . ?
C45 C44 C43 120.6(8) . . ?
C45 C44 H44 119.7 . . ?
C44 C45 H45 120.4 . . ?
C46 C45 C44 119.3(8) . . ?
C46 C45 H45 120.4 . . ?
C45 C46 H46 119.5 . . ?
C45 C46 C47 121.0(8) . . ?
C47 C46 H46 119.5 . . ?
C42 C47 H47 119.4 . . ?
C46 C47 C42 121.2(7) . . ?
C46 C47 H47 119.4 . . ?
C49 C48 P1 123.7(5) . . ?
C53 C48 P1 117.3(5) . . ?
C53 C48 C49 119.0(6) . . ?
C48 C49 H49 119.5 . . ?
C50 C49 C48 120.9(7) . . ?
C50 C49 H49 119.5 . . ?
C49 C50 H50 120.4 . . ?
C51 C50 C49 119.2(8) . . ?
C51 C50 H50 120.4 . . ?
C50 C51 H51 118.9 . . ?
C50 C51 C52 122.3(8) . . ?
C52 C51 H51 118.9 . . ?
C51 C52 H52 121.0 . . ?
C51 C52 C53 118.0(8) . . ?
C53 C52 H52 121.0 . . ?
C48 C53 C52 120.5(7) . . ?
C48 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
O16 C54 C55 115.8(4) . . ?
O17 C54 C55 119.3(5) . . ?
O17 C54 O16 124.9(5) . . ?
C56 C55 C54 120.3(3) . . ?
C56 C55 C60 120.0 . . ?
C60 C55 C54 119.7(3) . . ?
C55 C56 H56 120.0 . . ?
C57 C56 C55 120.0 . . ?
C57 C56 H56 120.0 . . ?
C56 C57 H57 120.0 . . ?
C58 C57 C56 120.0 . . ?
C58 C57 H57 120.0 . . ?
C57 C58 H58 120.0 . . ?
C57 C58 C59 120.0 . . ?
C59 C58 H58 120.0 . . ?
C58 C59 H59 120.0 . . ?
C58 C59 C60 120.0 . . ?
C60 C59 H59 120.0 . . ?
C55 C60 H60 120.0 . . ?
C59 C60 C55 120.0 . . ?
C59 C60 H60 120.0 . . ?
O18 C61 C62 115.3(4) . . ?
O19 C61 C62 118.7(5) . . ?
O19 C61 O18 126.0(5) . . ?
C63 C62 C61 120.8(3) . . ?
C63 C62 C67 120.0 . . ?
C67 C62 C61 119.1(3) . . ?
C62 C63 H63 120.0 . . ?
C64 C63 C62 120.0 . . ?
C64 C63 H63 120.0 . . ?
C63 C64 H64 120.0 . . ?
C63 C64 C65 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 H66 120.0 . . ?
C67 C66 C65 120.0 . . ?
C67 C66 H66 120.0 . . ?
C62 C67 H67 120.0 . . ?
C66 C67 C62 120.0 . . ?
C66 C67 H67 120.0 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C69 C68 H68A 109.5 . . ?
C69 C68 H68B 109.5 . . ?
C69 C68 H68C 109.5 . . ?
N1 C69 C68 170(2) . . ?
C15 O1 Ti1 131.0(3) . . ?
C15 O2 Ti4 128.8(3) . 3_666 ?
C8 O3 Ti1 127.1(3) . . ?
Ti1 O4 Ti2 100.09(12) . . ?
Ti1 O4 Ti4 129.58(13) . 3_666 ?
Ti2 O4 Ti4 130.31(14) . 3_666 ?
C8 O5 Ti2 125.2(3) . . ?
C1 O6 Ti2 128.1(3) . . ?
C1 O7 Ti4 127.0(3) . 3_666 ?
C29 O8 Ti2 134.8(3) . . ?
C29 O9 Ti3 129.6(3) . . ?
Ti1 O10 Ti3 129.37(13) . . ?
Ti2 O10 Ti1 99.16(11) . . ?
Ti2 O10 Ti3 131.40(13) . . ?
Ti1 O11 Ti2 144.90(15) . 3_666 ?
C22 O12 Ti1 126.2(3) . . ?
C22 O13 Ti3 127.2(3) . . ?
Ti4 O14 Ti3 97.66(13) . . ?
Ti3 O15 Ag1 123.39(15) . . ?
Ti3 O15 Ti4 95.95(13) . . ?
Ti4 O15 Ag1 122.59(14) . . ?
C54 O16 Ti3 140.2(3) . . ?
C54 O17 Ag1 129.7(4) . . ?
C61 O18 Ti4 134.7(3) . . ?
C61 O19 Ag1 125.2(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 P1 C36 C37 38.7(5) . . . . ?
Ag1 P1 C36 C41 -141.2(5) . . . . ?
Ag1 P1 C42 C43 -139.4(5) . . . . ?
Ag1 P1 C42 C47 38.8(6) . . . . ?
Ag1 P1 C48 C49 -126.7(5) . . . . ?
Ag1 P1 C48 C53 51.4(5) . . . . ?
P1 C36 C37 C38 177.8(5) . . . . ?
P1 C36 C41 C40 -179.2(6) . . . . ?
P1 C42 C43 C44 178.1(6) . . . . ?
P1 C42 C47 C46 -179.5(7) . . . . ?
P1 C48 C49 C50 178.5(5) . . . . ?
P1 C48 C53 C52 179.7(6) . . . . ?
C1 C2 C3 C4 -179.9(5) . . . . ?
C1 C2 C7 C6 179.9(5) . . . . ?
C2 C1 O6 Ti2 -137.4(4) . . . . ?
C2 C1 O7 Ti4 -160.3(4) . . . 3_666 ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C6 C7 C2 0.0 . . . . ?
C7 C2 C3 C4 0.0 . . . . ?
C8 C9 C10 C11 -176.4(5) . . . . ?
C8 C9 C14 C13 177.6(6) . . . . ?
C9 C8 O3 Ti1 -162.7(3) . . . . ?
C9 C8 O5 Ti2 164.1(3) . . . . ?
C9 C10 C11 C12 -0.1(11) . . . . ?
C10 C9 C14 C13 0.3(9) . . . . ?
C10 C11 C12 C13 -1.8(12) . . . . ?
C11 C12 C13 C14 3.0(12) . . . . ?
C12 C13 C14 C9 -2.2(11) . . . . ?
C14 C9 C10 C11 0.9(9) . . . . ?
C15 C16 C17 C18 179.9(4) . . . . ?
C15 C16 C21 C20 -179.9(4) . . . . ?
C16 C15 O1 Ti1 147.2(3) . . . . ?
C16 C15 O2 Ti4 159.9(3) . . . 3_666 ?
C16 C17 C18 C19 0.0 . . . . ?
C17 C16 C21 C20 0.0 . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C16 0.0 . . . . ?
C21 C16 C17 C18 0.0 . . . . ?
C22 C23 C24 C25 173.6(4) . . . . ?
C22 C23 C28 C27 -173.5(4) . . . . ?
C23 C22 O12 Ti1 -115.3(4) . . . . ?
C23 C22 O13 Ti3 173.9(3) . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C23 C28 C27 0.0 . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C26 C27 C28 C23 0.0 . . . . ?
C28 C23 C24 C25 0.0 . . . . ?
C29 C30 C31 C32 177.0(4) . . . . ?
C29 C30 C35 C34 -177.0(4) . . . . ?
C30 C29 O8 Ti2 175.9(3) . . . . ?
C30 C29 O9 Ti3 142.2(3) . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C30 C35 C34 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C34 C35 C30 0.0 . . . . ?
C35 C30 C31 C32 0.0 . . . . ?
C36 P1 C42 C43 -13.0(6) . . . . ?
C36 P1 C42 C47 165.2(5) . . . . ?
C36 P1 C48 C49 106.4(5) . . . . ?
C36 P1 C48 C53 -75.5(5) . . . . ?
C36 C37 C38 C39 1.6(11) . . . . ?
C37 C36 C41 C40 0.9(11) . . . . ?
C37 C38 C39 C40 0.5(12) . . . . ?
C38 C39 C40 C41 -2.0(13) . . . . ?
C39 C40 C41 C36 1.2(13) . . . . ?
C41 C36 C37 C38 -2.3(10) . . . . ?
C42 P1 C36 C37 -85.3(5) . . . . ?
C42 P1 C36 C41 94.9(6) . . . . ?
C42 P1 C48 C49 -4.3(6) . . . . ?
C42 P1 C48 C53 173.8(5) . . . . ?
C42 C43 C44 C45 1.3(13) . . . . ?
C43 C42 C47 C46 -1.2(11) . . . . ?
C43 C44 C45 C46 -1.1(15) . . . . ?
C44 C45 C46 C47 -0.2(16) . . . . ?
C45 C46 C47 C42 1.4(15) . . . . ?
C47 C42 C43 C44 -0.1(11) . . . . ?
C48 P1 C36 C37 163.4(5) . . . . ?
C48 P1 C36 C41 -16.4(6) . . . . ?
C48 P1 C42 C43 97.8(6) . . . . ?
C48 P1 C42 C47 -83.9(6) . . . . ?
C48 C49 C50 C51 2.5(11) . . . . ?
C49 C48 C53 C52 -2.1(10) . . . . ?
C49 C50 C51 C52 -3.9(13) . . . . ?
C50 C51 C52 C53 2.2(13) . . . . ?
C51 C52 C53 C48 0.8(12) . . . . ?
C53 C48 C49 C50 0.4(10) . . . . ?
C54 C55 C56 C57 179.7(4) . . . . ?
C54 C55 C60 C59 -179.7(4) . . . . ?
C55 C54 O16 Ti3 -159.5(4) . . . . ?
C55 C54 O17 Ag1 149.1(4) . . . . ?
C55 C56 C57 C58 0.0 . . . . ?
C56 C55 C60 C59 0.0 . . . . ?
C56 C57 C58 C59 0.0 . . . . ?
C57 C58 C59 C60 0.0 . . . . ?
C58 C59 C60 C55 0.0 . . . . ?
C60 C55 C56 C57 0.0 . . . . ?
C61 C62 C63 C64 -178.5(5) . . . . ?
C61 C62 C67 C66 178.5(5) . . . . ?
C62 C61 O18 Ti4 -156.8(4) . . . . ?
C62 C61 O19 Ag1 -148.2(4) . . . . ?
C62 C63 C64 C65 0.0 . . . . ?
C63 C62 C67 C66 0.0 . . . . ?
C63 C64 C65 C66 0.0 . . . . ?
C64 C65 C66 C67 0.0 . . . . ?
C65 C66 C67 C62 0.0 . . . . ?
C67 C62 C63 C64 0.0 . . . . ?
O1 Ti1 O11 Ti2 -134.6(3) . . . 3_666 ?
O1 C15 C16 C17 168.1(3) . . . . ?
O1 C15 C16 C21 -12.1(5) . . . . ?
O1 C15 O2 Ti4 -19.8(7) . . . 3_666 ?
O2 Ti4 O14 Ti3 -179.98(13) 3_666 . . . ?
O2 C15 C16 C17 -11.7(5) . . . . ?
O2 C15 C16 C21 168.1(3) . . . . ?
O2 C15 O1 Ti1 -33.0(7) . . . . ?
O3 C8 C9 C10 171.5(5) . . . . ?
O3 C8 C9 C14 -5.8(7) . . . . ?
O3 C8 O5 Ti2 -14.4(7) . . . . ?
O4 Ti1 O11 Ti2 -41.1(3) . . . 3_666 ?
O4 Ti4 O14 Ti3 -93.06(12) 3_666 . . . ?
O4 Ti4 O15 Ag1 -129.49(15) 3_666 . . . ?
O4 Ti4 O15 Ti3 94.18(12) 3_666 . . . ?
O5 C8 C9 C10 -7.1(7) . . . . ?
O5 C8 C9 C14 175.6(5) . . . . ?
O5 C8 O3 Ti1 15.8(7) . . . . ?
O6 C1 C2 C3 -7.0(7) . . . . ?
O6 C1 C2 C7 173.1(4) . . . . ?
O6 C1 O7 Ti4 19.3(8) . . . 3_666 ?
O7 Ti4 O15 Ag1 -45.45(17) 3_666 . . . ?
O7 Ti4 O15 Ti3 178.21(13) 3_666 . . . ?
O7 C1 C2 C3 172.7(4) . . . . ?
O7 C1 C2 C7 -7.2(7) . . . . ?
O7 C1 O6 Ti2 43.0(7) . . . . ?
O8 C29 C30 C31 -11.6(5) . . . . ?
O8 C29 C30 C35 165.5(3) . . . . ?
O8 C29 O9 Ti3 -35.0(6) . . . . ?
O9 Ti3 O14 Ti4 -179.05(13) . . . . ?
O9 C29 C30 C31 171.0(4) . . . . ?
O9 C29 C30 C35 -12.0(5) . . . . ?
O9 C29 O8 Ti2 -6.8(7) . . . . ?
O10 Ti1 O11 Ti2 40.2(3) . . . 3_666 ?
O10 Ti3 O14 Ti4 95.01(12) . . . . ?
O10 Ti3 O15 Ag1 129.65(14) . . . . ?
O10 Ti3 O15 Ti4 -94.51(12) . . . . ?
O12 Ti1 O11 Ti2 130.3(3) . . . 3_666 ?
O12 C22 C23 C24 4.7(6) . . . . ?
O12 C22 C23 C28 178.3(3) . . . . ?
O12 C22 O13 Ti3 -3.7(6) . . . . ?
O13 Ti3 O15 Ag1 44.69(16) . . . . ?
O13 Ti3 O15 Ti4 -179.48(12) . . . . ?
O13 C22 C23 C24 -173.0(4) . . . . ?
O13 C22 C23 C28 0.5(6) . . . . ?
O13 C22 O12 Ti1 62.4(6) . . . . ?
O14 Ti3 O15 Ag1 -135.92(16) . . . . ?
O14 Ti3 O15 Ti4 -0.09(12) . . . . ?
O14 Ti4 O15 Ag1 136.43(16) . . . . ?
O14 Ti4 O15 Ti3 0.09(12) . . . . ?
O15 Ti3 O14 Ti4 0.10(13) . . . . ?
O15 Ti4 O14 Ti3 -0.09(12) . . . . ?
O16 Ti3 O14 Ti4 -97.24(14) . . . . ?
O16 Ti3 O15 Ag1 -39.75(18) . . . . ?
O16 Ti3 O15 Ti4 96.08(14) . . . . ?
O16 C54 C55 C56 -12.8(6) . . . . ?
O16 C54 C55 C60 166.9(4) . . . . ?
O16 C54 O17 Ag1 -31.5(9) . . . . ?
O17 C54 C55 C56 166.7(5) . . . . ?
O17 C54 C55 C60 -13.6(7) . . . . ?
O17 C54 O16 Ti3 21.0(10) . . . . ?
O18 Ti4 O14 Ti3 94.40(15) . . . . ?
O18 Ti4 O15 Ag1 37.41(18) . . . . ?
O18 Ti4 O15 Ti3 -98.93(14) . . . . ?
O18 C61 C62 C63 -8.0(7) . . . . ?
O18 C61 C62 C67 173.5(4) . . . . ?
O18 C61 O19 Ag1 30.8(9) . . . . ?
O19 C61 C62 C63 171.1(5) . . . . ?
O19 C61 C62 C67 -7.4(8) . . . . ?
O19 C61 O18 Ti4 24.1(10) . . . . ?


# (APPEND TO CIF)
_vrf_PLAT260_1                   
;
PROBLEM:   Large Average Ueq of Residue Including        N1      0.210  
RESPONSE: This is because the guest CH3CN molecules were disorder.
;

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.410
_oxdiff_exptl_absorpt_empirical_full_min 0.733
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5
_database_code_depnum_ccdc_archive 'CCDC 1916932'
loop_
_audit_author_name
_audit_author_address
'Youzhu Yu'
;Anyang Institute of Technology
China
;
_audit_update_record             
;
2019-07-17 deposited with the CCDC.	2019-08-07 downloaded from the CCDC.
;
_audit_creation_date             2019-07-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C70 H56 Ag O19 P Ti4, C2 H3 N'
_chemical_formula_sum            'C72 H59 Ag N O19 P Ti4'
_chemical_formula_weight         1572.64
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.1578(2)
_cell_length_b                   15.2500(2)
_cell_length_c                   17.4641(3)
_cell_angle_alpha                88.5520(10)
_cell_angle_beta                 67.5800(10)
_cell_angle_gamma                79.1470(10)
_cell_volume                     3418.76(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9931
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      29.30
_cell_measurement_theta_min      2.28
_shelx_estimated_absorpt_T_max   0.893
_shelx_estimated_absorpt_T_min   0.839
_exptl_absorpt_coefficient_mu    0.826
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0192
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25786
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.604
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9864
_reflns_number_total             12006
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_refine_diff_density_max         1.862
_refine_diff_density_min         -2.399
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     861
_refine_ls_number_reflns         12006
_refine_ls_number_restraints     787
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0556
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0437P)²+17.7790P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1250
_refine_ls_wR_factor_ref         0.1405
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H50A,H50B,H50C} of C50, {H57A,H57B,H57C} of C57, {H64A,
  H64B,H64C} of C64
 At 1.5 times of:
  {H72A,H72B,H72C} of C72
2. Restrained distances
 C36-O18 = O18A-C36
 1.22 with sigma of 0.01
 N1-C71
 1.15 with sigma of 0.01
 C71-C72
 1.52 with sigma of 0.01
 C36-C37A
 1.52 with sigma of 0.01
 C36-C37 = C29-C30
 1.52 with sigma of 0.01
3. Rigid bond restraints
 Ag1, O19
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O18A, C36
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C22, C23
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C29, C30
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C36, C37
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14, C15, C16, C17,
 C18, C19, C20, C21, C22, C23, C24, C25, C26, C27, C28, C29, C30, C31, C32, C33,
  C34, C35, C36, C37, C38, C39, C40, C41, C42, C37A, C38A, C39A, C40A, C41A,
 C42A, C43, C44, C45, C46, C47, C48, C49, C50, C51, C52, C53, C54, C55, C56,
 C57, C58, C59, C60, C61, C62, C63, C64, C65, C66, C67, C68, C69, C70, C71, C72
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C27, C28
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C34, C35
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C41A, C42A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25
\\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33
\\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41
\\sim C42 \\sim C37A \\sim C38A \\sim C39A \\sim C40A \\sim C41A \\sim C42A
\\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49 \\sim C50
\\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57 \\sim C58
\\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65 \\sim C66
\\sim C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C26) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C41A) \\sim Ueq, Uanis(C42A)
\\sim Ueq, Uanis(C37A) \\sim Ueq, Uanis(O18) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C27) \\sim Ueq, Uanis(C34) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C2) = Uanis(C3) = Uanis(C4) = Uanis(C5) = Uanis(C6) = Uanis(C7)
Uanis(C71) = Uanis(C72)
5. Others
 Sof(C37A)=Sof(C38A)=Sof(H38A)=Sof(C39A)=Sof(H39A)=Sof(C40A)=Sof(H40A)=
 Sof(C41A)=Sof(H41A)=Sof(C42A)=Sof(H42A)=Sof(O18A)=Sof(O19A)=1-FVAR(1)
 Sof(C37)=Sof(C38)=Sof(H38)=Sof(C39)=Sof(H39)=Sof(C40)=Sof(H40)=Sof(C41)=
 Sof(H41)=Sof(C42)=Sof(H42)=Sof(O18)=Sof(O19)=FVAR(1)
6.a Riding coordinates:
 C38A(H38A), C39A(H39A), C40A(H40A), C41A(H41A), C42A(H42A)
6.b Me refined with riding coordinates:
 C50(H50A,H50B,H50C), C57(H57A,H57B,H57C), C64(H64A,H64B,H64C)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33),
 C34(H34), C35(H35), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42), C45(H45),
  C46(H46), C47(H47), C48(H48), C49(H49), C52(H52), C53(H53), C55(H55),
 C56(H56), C59(H59), C60(H60), C62(H62), C63(H63), C66(H66), C67(H67), C69(H69),
  C70(H70)
6.d Fitted hexagon refined as free rotating group:
 C2(C3,C4,C5,C6,C7), C23(C24,C25,C26,C27,C28), C30(C31,C32,C33,C34,C35),
 C37(C38,C39,C40,C41,C42), C37A(C38A,C39A,C40A,C41A,C42A)
6.e Idealised Me refined as rotating group:
 C72(H72A,H72B,H72C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.47957(3) 0.27889(3) 0.75988(3) 0.05312(15) Uani 1 1 d . U . . .
C1 C 0.5581(4) 0.7859(3) 0.4267(3) 0.0286(9) Uani 1 1 d . U . . .
C2 C 0.6077(3) 0.86506(19) 0.4034(3) 0.0604(6) Uani 1 1 d . U . . .
C3 C 0.5466(2) 0.9488(2) 0.4069(3) 0.0604(6) Uani 1 1 d G U . . .
H3 H 0.4756 0.9544 0.4195 0.072 Uiso 1 1 calc R . . . .
C4 C 0.5916(3) 1.02430(18) 0.3914(3) 0.0604(6) Uani 1 1 d G U . . .
H4 H 0.5507 1.0804 0.3937 0.072 Uiso 1 1 calc R . . . .
C5 C 0.6977(3) 1.01597(19) 0.3724(3) 0.0604(6) Uani 1 1 d G U . . .
H5 H 0.7278 1.0665 0.3621 0.072 Uiso 1 1 calc R . . . .
C6 C 0.7587(2) 0.9322(2) 0.3690(3) 0.0604(6) Uani 1 1 d G U . . .
H6 H 0.8297 0.9266 0.3563 0.072 Uiso 1 1 calc R . . . .
C7 C 0.7137(3) 0.85673(18) 0.3845(3) 0.0604(6) Uani 1 1 d G U . . .
H7 H 0.7546 0.8007 0.3822 0.072 Uiso 1 1 calc R . . . .
C8 C 0.5700(3) 0.4696(3) 0.2230(3) 0.0256(9) Uani 1 1 d . U . . .
C9 C 0.6306(4) 0.4326(3) 0.1367(3) 0.0303(9) Uani 1 1 d . U . . .
C10 C 0.7377(4) 0.4074(3) 0.1091(3) 0.0397(11) Uani 1 1 d . U . . .
H10 H 0.7719 0.4164 0.1435 0.048 Uiso 1 1 calc R . . . .
C11 C 0.7938(5) 0.3688(4) 0.0299(4) 0.0574(15) Uani 1 1 d . U . . .
H11 H 0.8658 0.3515 0.0112 0.069 Uiso 1 1 calc R . . . .
C12 C 0.7438(5) 0.3561(4) -0.0207(4) 0.0622(16) Uani 1 1 d . U . . .
H12 H 0.7820 0.3300 -0.0738 0.075 Uiso 1 1 calc R . . . .
C13 C 0.6374(5) 0.3814(4) 0.0059(3) 0.0544(14) Uani 1 1 d . U . . .
H13 H 0.6040 0.3725 -0.0292 0.065 Uiso 1 1 calc R . . . .
C14 C 0.5797(4) 0.4201(3) 0.0850(3) 0.0401(11) Uani 1 1 d . U . . .
H14 H 0.5077 0.4375 0.1032 0.048 Uiso 1 1 calc R . . . .
C15 C 0.7716(3) 0.5739(3) 0.5537(3) 0.0254(9) Uani 1 1 d . U . . .
C16 C 0.8681(3) 0.6075(3) 0.5410(3) 0.0291(9) Uani 1 1 d . U . . .
C17 C 0.9018(4) 0.6662(4) 0.4794(3) 0.0414(11) Uani 1 1 d . U . . .
H17 H 0.8635 0.6852 0.4469 0.050 Uiso 1 1 calc R . . . .
C18 C 0.9924(4) 0.6967(4) 0.4662(4) 0.0518(13) Uani 1 1 d . U . . .
H18 H 1.0150 0.7363 0.4247 0.062 Uiso 1 1 calc R . . . .
C19 C 1.0491(4) 0.6692(4) 0.5135(4) 0.0526(14) Uani 1 1 d . U . . .
H19 H 1.1089 0.6914 0.5054 0.063 Uiso 1 1 calc R . . . .
C20 C 1.0180(4) 0.6096(4) 0.5721(4) 0.0519(13) Uani 1 1 d . U . . .
H20 H 1.0582 0.5894 0.6027 0.062 Uiso 1 1 calc R . . . .
C21 C 0.9269(4) 0.5778(3) 0.5873(4) 0.0408(11) Uani 1 1 d . U . . .
H21 H 0.9059 0.5372 0.6281 0.049 Uiso 1 1 calc R . . . .
C22 C 0.7795(3) 0.2773(3) 0.3569(3) 0.0275(9) Uani 1 1 d . U . . .
C23 C 0.8741(2) 0.2261(2) 0.29153(18) 0.0378(11) Uani 1 1 d . U . . .
C24 C 0.9165(2) 0.26131(19) 0.2144(2) 0.0414(11) Uani 1 1 d G U . . .
H24 H 0.8854 0.3171 0.2038 0.050 Uiso 1 1 calc R . . . .
C25 C 1.0053(3) 0.2131(2) 0.15308(18) 0.0551(14) Uani 1 1 d G U . . .
H25 H 1.0337 0.2367 0.1015 0.066 Uiso 1 1 calc R . . . .
C26 C 1.0517(3) 0.1297(2) 0.1689(2) 0.076(2) Uani 1 1 d G U . . .
H26 H 1.1111 0.0975 0.1279 0.091 Uiso 1 1 calc R . . . .
C27 C 1.0093(3) 0.0945(2) 0.2461(3) 0.0764(16) Uani 1 1 d G U . . .
H27 H 1.0403 0.0387 0.2567 0.092 Uiso 1 1 calc R . . . .
C28 C 0.9205(3) 0.1427(2) 0.3074(2) 0.083(2) Uani 1 1 d G U . . .
H28 H 0.8921 0.1191 0.3590 0.100 Uiso 1 1 calc R . . . .
C29 C 0.5069(3) 0.2799(3) 0.3396(3) 0.0277(9) Uani 1 1 d D U . . .
C30 C 0.4999(3) 0.2216(2) 0.27487(17) 0.0382(11) Uani 1 1 d D U . . .
C31 C 0.5670(2) 0.2240(2) 0.19274(19) 0.0398(11) Uani 1 1 d G U . . .
H31 H 0.6187 0.2579 0.1792 0.048 Uiso 1 1 calc R . . . .
C32 C 0.5567(3) 0.1756(3) 0.13087(16) 0.0569(15) Uani 1 1 d G U . . .
H32 H 0.6016 0.1772 0.0759 0.068 Uiso 1 1 calc R . . . .
C33 C 0.4794(4) 0.1249(3) 0.1511(2) 0.0783(19) Uani 1 1 d G U . . .
H33 H 0.4725 0.0926 0.1097 0.094 Uiso 1 1 calc R . . . .
C34 C 0.4123(3) 0.1225(3) 0.2333(3) 0.0751(16) Uani 1 1 d G U . . .
H34 H 0.3606 0.0886 0.2468 0.090 Uiso 1 1 calc R . . . .
C35 C 0.4226(3) 0.1709(3) 0.29514(19) 0.0742(18) Uani 1 1 d G U . . .
H35 H 0.3777 0.1693 0.3501 0.089 Uiso 1 1 calc R . . . .
C36 C 0.6909(4) 0.1441(3) 0.6332(4) 0.0479(13) Uani 1 1 d D U . . .
C37 C 0.7512(6) 0.0519(3) 0.6285(4) 0.045(2) Uani 0.511(5) 1 d D U P A 1
C38 C 0.7703(6) 0.0038(4) 0.5558(4) 0.052(2) Uani 0.511(5) 1 d G U P A 1
H38 H 0.7508 0.0316 0.5146 0.063 Uiso 0.511(5) 1 calc R . P A 1
C39 C 0.8186(7) -0.0858(4) 0.5446(4) 0.061(2) Uani 0.511(5) 1 d G U P A 1
H39 H 0.8314 -0.1179 0.4960 0.073 Uiso 0.511(5) 1 calc R . P A 1
C40 C 0.8478(7) -0.1273(3) 0.6062(5) 0.067(2) Uani 0.511(5) 1 d G U P A 1
H40 H 0.8801 -0.1872 0.5987 0.081 Uiso 0.511(5) 1 calc R . P A 1
C41 C 0.8286(6) -0.0792(4) 0.6789(4) 0.056(2) Uani 0.511(5) 1 d G U P A 1
H41 H 0.8482 -0.1070 0.7200 0.067 Uiso 0.511(5) 1 calc R . P A 1
C42 C 0.7803(6) 0.0104(4) 0.6900(4) 0.045(2) Uani 0.511(5) 1 d G U P A 1
H42 H 0.7676 0.0425 0.7386 0.055 Uiso 0.511(5) 1 calc R . P A 1
C37A C 0.7816(5) 0.0656(4) 0.5886(5) 0.047(2) Uani 0.489(5) 1 d D U P A 2
C38A C 0.8749(6) 0.0736(4) 0.5249(5) 0.050(2) Uani 0.489(5) 1 d G U P A 2
H38A H 0.8844 0.1305 0.5017 0.060 Uiso 0.489(5) 1 d R . P A 2
C39A C 0.9545(5) -0.0009(5) 0.4948(5) 0.064(3) Uani 0.489(5) 1 d G U P A 2
H39A H 1.0190 0.0046 0.4508 0.077 Uiso 0.489(5) 1 d R . P A 2
C40A C 0.9407(6) -0.0833(4) 0.5285(6) 0.070(3) Uani 0.489(5) 1 d G U P A 2
H40A H 0.9957 -0.1348 0.5077 0.084 Uiso 0.489(5) 1 d R . P A 2
C41A C 0.8474(7) -0.0913(4) 0.5922(6) 0.071(3) Uani 0.489(5) 1 d G U P A 2
H41A H 0.8379 -0.1483 0.6154 0.085 Uiso 0.489(5) 1 d R . P A 2
C42A C 0.7678(5) -0.0168(5) 0.6223(5) 0.062(2) Uani 0.489(5) 1 d G U P A 2
H42A H 0.7033 -0.0224 0.6663 0.075 Uiso 0.489(5) 1 d R . P A 2
C43 C 0.6963(4) 0.3258(3) 0.7558(3) 0.0358(11) Uani 1 1 d . U . . .
C44 C 0.7949(4) 0.2856(3) 0.7666(3) 0.0344(10) Uani 1 1 d . U . . .
C45 C 0.8017(5) 0.2053(4) 0.8041(5) 0.0613(15) Uani 1 1 d . U . . .
H45 H 0.7454 0.1763 0.8217 0.074 Uiso 1 1 calc R . . . .
C46 C 0.8922(6) 0.1677(4) 0.8156(5) 0.0731(17) Uani 1 1 d . U . . .
H46 H 0.8967 0.1133 0.8406 0.088 Uiso 1 1 calc R . . . .
C47 C 0.9738(5) 0.2099(5) 0.7906(4) 0.0695(17) Uani 1 1 d . U . . .
H47 H 1.0349 0.1842 0.7974 0.083 Uiso 1 1 calc R . . . .
C48 C 0.9666(5) 0.2906(5) 0.7553(4) 0.0654(16) Uani 1 1 d . U . . .
H48 H 1.0221 0.3204 0.7398 0.078 Uiso 1 1 calc R . . . .
C49 C 0.8771(4) 0.3283(4) 0.7422(3) 0.0457(12) Uani 1 1 d . U . . .
H49 H 0.8734 0.3826 0.7169 0.055 Uiso 1 1 calc R . . . .
C50 C 0.1681(7) -0.0808(5) 0.8789(6) 0.098(3) Uani 1 1 d . U . . .
H50A H 0.2266 -0.1258 0.8469 0.117 Uiso 1 1 calc R . . . .
H50B H 0.1435 -0.0954 0.9361 0.117 Uiso 1 1 calc R . . . .
H50C H 0.1134 -0.0783 0.8586 0.117 Uiso 1 1 calc R . . . .
C51 C 0.2006(5) 0.0087(4) 0.8709(4) 0.0544(14) Uani 1 1 d . U . . .
C52 C 0.3023(5) 0.0162(4) 0.8241(4) 0.0500(13) Uani 1 1 d . U . . .
H52 H 0.3502 -0.0341 0.7955 0.060 Uiso 1 1 calc R . . . .
C53 C 0.3339(4) 0.0973(3) 0.8192(3) 0.0373(11) Uani 1 1 d . U . . .
H53 H 0.4031 0.1003 0.7883 0.045 Uiso 1 1 calc R . . . .
C54 C 0.2645(3) 0.1738(3) 0.8594(3) 0.0303(9) Uani 1 1 d . U . . .
C55 C 0.1609(4) 0.1671(4) 0.9052(3) 0.0391(11) Uani 1 1 d . U . . .
H55 H 0.1120 0.2178 0.9320 0.047 Uiso 1 1 calc R . . . .
C56 C 0.1312(4) 0.0853(4) 0.9106(4) 0.0481(13) Uani 1 1 d . U . . .
H56 H 0.0623 0.0818 0.9421 0.058 Uiso 1 1 calc R . . . .
C57 C -0.0369(4) 0.5447(4) 0.8024(4) 0.0553(15) Uani 1 1 d . U . . .
H57A H -0.0952 0.5597 0.8542 0.066 Uiso 1 1 calc R . . . .
H57B H -0.0142 0.5983 0.7789 0.066 Uiso 1 1 calc R . . . .
H57C H -0.0572 0.5153 0.7648 0.066 Uiso 1 1 calc R . . . .
C58 C 0.0511(4) 0.4832(3) 0.8169(3) 0.0397(11) Uani 1 1 d . U . . .
C59 C 0.1448(4) 0.4512(4) 0.7526(3) 0.0417(12) Uani 1 1 d . U . . .
H59 H 0.1553 0.4700 0.6994 0.050 Uiso 1 1 calc R . . . .
C60 C 0.2235(4) 0.3916(3) 0.7656(3) 0.0375(11) Uani 1 1 d . U . . .
H60 H 0.2860 0.3710 0.7214 0.045 Uiso 1 1 calc R . . . .
C61 C 0.2090(3) 0.3625(3) 0.8453(3) 0.0317(10) Uani 1 1 d . U . . .
C62 C 0.1160(4) 0.3969(3) 0.9104(3) 0.0365(11) Uani 1 1 d . U . . .
H62 H 0.1059 0.3801 0.9640 0.044 Uiso 1 1 calc R . . . .
C63 C 0.0386(4) 0.4559(3) 0.8960(3) 0.0408(11) Uani 1 1 d . U . . .
H63 H -0.0234 0.4779 0.9403 0.049 Uiso 1 1 calc R . . . .
C64 C 0.2944(6) 0.3557(6) 1.2048(5) 0.089(3) Uani 1 1 d . U . . .
H64A H 0.2726 0.3082 1.2405 0.107 Uiso 1 1 calc R . . . .
H64B H 0.3624 0.3619 1.2006 0.107 Uiso 1 1 calc R . . . .
H64C H 0.2459 0.4106 1.2274 0.107 Uiso 1 1 calc R . . . .
C65 C 0.2978(5) 0.3342(5) 1.1197(4) 0.0585(14) Uani 1 1 d . U . . .
C66 C 0.3263(6) 0.3910(4) 1.0581(5) 0.0708(16) Uani 1 1 d . U . . .
H66 H 0.3447 0.4436 1.0685 0.085 Uiso 1 1 calc R . . . .
C67 C 0.3290(6) 0.3730(4) 0.9803(5) 0.0651(15) Uani 1 1 d . U . . .
H67 H 0.3498 0.4134 0.9392 0.078 Uiso 1 1 calc R . . . .
C68 C 0.3016(4) 0.2966(3) 0.9618(3) 0.0366(11) Uani 1 1 d . U . . .
C69 C 0.2731(4) 0.2376(4) 1.0240(3) 0.0382(11) Uani 1 1 d . U . . .
H69 H 0.2549 0.1849 1.0138 0.046 Uiso 1 1 calc R . . . .
C70 C 0.2717(4) 0.2570(4) 1.1019(4) 0.0515(13) Uani 1 1 d . U . . .
H70 H 0.2526 0.2165 1.1432 0.062 Uiso 1 1 calc R . . . .
C71 C 0.6191(5) 0.0542(4) 0.9234(4) 0.0604(12) Uani 1 1 d D U . . .
C72 C 0.5349(5) 0.1202(4) 0.9137(4) 0.0604(12) Uani 1 1 d D U . . .
H72A H 0.5463 0.1234 0.8559 0.091 Uiso 1 1 calc GR . . . .
H72B H 0.5339 0.1777 0.9353 0.091 Uiso 1 1 calc GR . . . .
H72C H 0.4694 0.1025 0.9434 0.091 Uiso 1 1 calc GR . . . .
N1 N 0.6824(5) 0.0034(4) 0.9322(4) 0.0764(17) Uani 1 1 d D . . . .
O1 O 0.6166(2) 0.71052(19) 0.42376(19) 0.0281(7) Uani 1 1 d . . . . .
O2 O 0.4617(2) 0.79514(19) 0.44581(19) 0.0285(7) Uani 1 1 d . . . . .
O3 O 0.6221(2) 0.4775(2) 0.26767(18) 0.0266(6) Uani 1 1 d . . . . .
O4 O 0.4729(2) 0.4919(2) 0.24898(18) 0.0296(7) Uani 1 1 d . . . . .
O5 O 0.5845(2) 0.3178(2) 0.31700(18) 0.0277(7) Uani 1 1 d . . . . .
O6 O 0.4354(2) 0.2893(2) 0.41085(19) 0.0295(7) Uani 1 1 d . . . . .
O7 O 0.7347(2) 0.5903(2) 0.49744(18) 0.0259(6) Uani 1 1 d . . . . .
O8 O 0.7312(2) 0.5317(2) 0.61681(19) 0.0289(7) Uani 1 1 d . . . . .
O9 O 0.7461(2) 0.35685(19) 0.34278(19) 0.0271(7) Uani 1 1 d . . . . .
O10 O 0.7378(2) 0.2405(2) 0.42388(19) 0.0290(7) Uani 1 1 d . . . . .
O11 O 0.6322(2) 0.52466(18) 0.41363(16) 0.0201(6) Uani 1 1 d . . . . .
O12 O 0.5540(2) 0.36653(18) 0.47833(17) 0.0204(6) Uani 1 1 d . . . . .
O13 O 0.7099(2) 0.38483(19) 0.53412(17) 0.0237(6) Uani 1 1 d . . . . .
O14 O 0.5492(2) 0.35813(19) 0.64281(17) 0.0232(6) Uani 1 1 d . . . . .
O15 O 0.5471(2) 0.53435(18) 0.58924(17) 0.0206(6) Uani 1 1 d . . . . .
O16 O 0.7102(2) 0.2062(2) 0.5824(2) 0.0339(7) Uani 1 1 d . . . . .
O17 O 0.7059(2) 0.3822(2) 0.69887(19) 0.0301(7) Uani 1 1 d . . . . .
O18 O 0.6223(10) 0.1613(13) 0.7048(7) 0.065(4) Uani 0.511(5) 1 d D U P A 1
O19 O 0.6070(11) 0.3204(11) 0.8116(11) 0.046(3) Uani 0.511(5) 1 d . U P A 1
O18A O 0.6087(11) 0.1386(14) 0.6892(9) 0.069(4) Uani 0.489(5) 1 d D U P A 2
O19A O 0.6219(11) 0.2894(11) 0.7884(10) 0.045(4) Uani 0.489(5) 1 d . . P A 2
P1 P 0.31051(9) 0.27749(9) 0.85670(8) 0.0334(3) Uani 1 1 d . . . . .
Ti1 Ti 0.59318(5) 0.60848(5) 0.49727(4) 0.01961(16) Uani 1 1 d . . . . .
Ti2 Ti 0.60166(5) 0.42869(5) 0.37743(4) 0.02045(17) Uani 1 1 d . . . . .
Ti3 Ti 0.63413(6) 0.29979(5) 0.53999(5) 0.02397(18) Uani 1 1 d . . . . .
Ti4 Ti 0.62838(6) 0.44310(5) 0.63533(5) 0.02250(17) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O14 2.323(3) . ?
Ag1 O18 2.338(17) . ?
Ag1 O19 2.485(15) . ?
Ag1 O18A 2.526(19) . ?
Ag1 O19A 2.287(12) . ?
Ag1 P1 2.3492(12) . ?
C1 C2 1.480(5) . ?
C1 O1 1.274(5) . ?
C1 O2 1.256(5) . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 H3 0.9300 . ?
C3 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 H7 0.9300 . ?
C8 C9 1.483(6) . ?
C8 O3 1.282(5) . ?
C8 O4 1.252(5) . ?
C9 C10 1.383(7) . ?
C9 C14 1.388(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.384(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.364(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.375(9) . ?
C13 H13 0.9300 . ?
C13 C14 1.387(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.485(6) . ?
C15 O7 1.277(5) . ?
C15 O8 1.255(5) . ?
C16 C17 1.381(7) . ?
C16 C21 1.379(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.382(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.366(9) . ?
C19 H19 0.9300 . ?
C19 C20 1.352(9) . ?
C20 H20 0.9300 . ?
C20 C21 1.391(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.480(5) . ?
C22 O9 1.270(5) . ?
C22 O10 1.263(5) . ?
C23 C24 1.3900 . ?
C23 C28 1.3900 . ?
C24 H24 0.9300 . ?
C24 C25 1.3900 . ?
C25 H25 0.9300 . ?
C25 C26 1.3900 . ?
C26 H26 0.9300 . ?
C26 C27 1.3900 . ?
C27 H27 0.9300 . ?
C27 C28 1.3900 . ?
C28 H28 0.9300 . ?
C29 C30 1.499(4) . ?
C29 O5 1.264(5) . ?
C29 O6 1.260(5) . ?
C30 C31 1.3900 . ?
C30 C35 1.3900 . ?
C31 H31 0.9300 . ?
C31 C32 1.3900 . ?
C32 H32 0.9300 . ?
C32 C33 1.3900 . ?
C33 H33 0.9300 . ?
C33 C34 1.3900 . ?
C34 H34 0.9300 . ?
C34 C35 1.3900 . ?
C35 H35 0.9300 . ?
C36 C37 1.488(6) . ?
C36 C37A 1.548(6) . ?
C36 O16 1.276(6) . ?
C36 O18 1.253(9) . ?
C36 O18A 1.217(9) . ?
C37 C38 1.3900 . ?
C37 C42 1.3900 . ?
C38 H38 0.9300 . ?
C38 C39 1.3900 . ?
C39 H39 0.9300 . ?
C39 C40 1.3900 . ?
C40 H40 0.9300 . ?
C40 C41 1.3900 . ?
C41 H41 0.9300 . ?
C41 C42 1.3900 . ?
C42 H42 0.9300 . ?
C37A C38A 1.3900 . ?
C37A C42A 1.3900 . ?
C38A H38A 0.9599 . ?
C38A C39A 1.3900 . ?
C39A C39A 1.373(17) 2_756 ?
C39A H39A 0.9599 . ?
C39A C40A 1.3900 . ?
C40A H40A 0.9603 . ?
C40A C41A 1.3900 . ?
C41A H41A 0.9601 . ?
C41A C42A 1.3900 . ?
C42A H42A 0.9599 . ?
C43 C44 1.495(6) . ?
C43 O17 1.283(6) . ?
C43 O19 1.284(17) . ?
C43 O19A 1.220(16) . ?
C44 C45 1.378(8) . ?
C44 C49 1.362(7) . ?
C45 H45 0.9300 . ?
C45 C46 1.388(9) . ?
C46 H46 0.9300 . ?
C46 C47 1.349(11) . ?
C47 H47 0.9300 . ?
C47 C48 1.366(10) . ?
C48 H48 0.9300 . ?
C48 C49 1.388(8) . ?
C49 H49 0.9300 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C50 C51 1.508(9) . ?
C51 C52 1.383(8) . ?
C51 C56 1.378(8) . ?
C52 H52 0.9300 . ?
C52 C53 1.382(8) . ?
C53 H53 0.9300 . ?
C53 C54 1.380(7) . ?
C54 C55 1.400(7) . ?
C54 P1 1.813(5) . ?
C55 H55 0.9300 . ?
C55 C56 1.379(7) . ?
C56 H56 0.9300 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C57 C58 1.512(7) . ?
C58 C59 1.381(7) . ?
C58 C63 1.388(7) . ?
C59 H59 0.9300 . ?
C59 C60 1.384(7) . ?
C60 H60 0.9300 . ?
C60 C61 1.400(7) . ?
C61 C62 1.389(7) . ?
C61 P1 1.814(4) . ?
C62 H62 0.9300 . ?
C62 C63 1.378(7) . ?
C63 H63 0.9300 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C64 C65 1.511(9) . ?
C65 C66 1.350(10) . ?
C65 C70 1.375(9) . ?
C66 H66 0.9300 . ?
C66 C67 1.379(10) . ?
C67 H67 0.9300 . ?
C67 C68 1.376(7) . ?
C68 C69 1.380(7) . ?
C68 P1 1.819(5) . ?
C69 H69 0.9300 . ?
C69 C70 1.392(7) . ?
C70 H70 0.9300 . ?
C71 C72 1.469(6) . ?
C71 N1 1.124(6) . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
O1 Ti1 1.987(3) . ?
O2 Ti3 2.112(3) 2_666 ?
O3 Ti2 1.974(3) . ?
O4 Ti4 2.116(3) 2_666 ?
O5 Ti2 2.114(3) . ?
O6 Ti1 2.136(3) 2_666 ?
O7 Ti1 1.972(3) . ?
O8 Ti4 2.100(3) . ?
O9 Ti2 1.998(3) . ?
O10 Ti3 2.099(3) . ?
O11 Ti1 1.812(3) . ?
O11 Ti2 1.795(3) . ?
O12 Ti1 1.923(3) 2_666 ?
O12 Ti2 1.926(3) . ?
O12 Ti3 1.981(3) . ?
O13 Ti3 1.810(3) . ?
O13 Ti4 1.839(3) . ?
O14 Ti3 1.869(3) . ?
O14 Ti4 1.839(3) . ?
O15 Ti1 1.916(3) . ?
O15 Ti2 1.931(3) 2_666 ?
O15 Ti4 1.989(3) . ?
O16 Ti3 1.930(3) . ?
O17 Ti4 1.947(3) . ?
Ti1 O6 2.136(3) 2_666 ?
Ti1 O12 1.923(3) 2_666 ?
Ti1 Ti2 2.9396(10) 2_666 ?
Ti2 O15 1.931(3) 2_666 ?
Ti2 Ti1 2.9395(10) 2_666 ?
Ti3 O2 2.112(3) 2_666 ?
Ti4 O4 2.116(3) 2_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O14 Ag1 O18 89.6(4) . . ?
O14 Ag1 O19 88.5(5) . . ?
O14 Ag1 O18A 90.6(4) . . ?
O14 Ag1 P1 134.64(7) . . ?
O18 Ag1 O19 77.6(5) . . ?
O18 Ag1 P1 129.8(3) . . ?
O19A Ag1 O14 87.1(5) . . ?
O19A Ag1 O18A 76.6(5) . . ?
O19A Ag1 P1 126.7(4) . . ?
P1 Ag1 O19 117.9(4) . . ?
P1 Ag1 O18A 123.2(3) . . ?
O1 C1 C2 117.8(4) . . ?
O2 C1 C2 119.2(4) . . ?
O2 C1 O1 122.9(4) . . ?
C3 C2 C1 119.8(3) . . ?
C3 C2 C7 120.0 . . ?
C7 C2 C1 120.0(3) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C7 C6 H6 120.0 . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 H7 120.0 . . ?
O3 C8 C9 116.7(4) . . ?
O4 C8 C9 120.2(4) . . ?
O4 C8 O3 123.0(4) . . ?
C10 C9 C8 119.6(4) . . ?
C10 C9 C14 120.2(4) . . ?
C14 C9 C8 120.2(4) . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C11 119.6(5) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.2(6) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.7(5) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.0(5) . . ?
C14 C13 H13 120.0 . . ?
C9 C14 H14 120.4 . . ?
C13 C14 C9 119.3(5) . . ?
C13 C14 H14 120.4 . . ?
O7 C15 C16 116.1(4) . . ?
O8 C15 C16 120.1(4) . . ?
O8 C15 O7 123.8(4) . . ?
C17 C16 C15 119.3(4) . . ?
C21 C16 C15 121.0(4) . . ?
C21 C16 C17 119.7(4) . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.8(5) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.5(6) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.1 . . ?
C20 C19 C18 119.7(5) . . ?
C20 C19 H19 120.1 . . ?
C19 C20 H20 119.4 . . ?
C19 C20 C21 121.2(5) . . ?
C21 C20 H20 119.4 . . ?
C16 C21 C20 119.0(5) . . ?
C16 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
O9 C22 C23 117.7(4) . . ?
O10 C22 C23 118.6(4) . . ?
O10 C22 O9 123.7(4) . . ?
C24 C23 C22 120.1(3) . . ?
C24 C23 C28 120.0 . . ?
C28 C23 C22 119.9(3) . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
C23 C28 H28 120.0 . . ?
C27 C28 C23 120.0 . . ?
C27 C28 H28 120.0 . . ?
O5 C29 C30 116.3(4) . . ?
O6 C29 C30 118.8(4) . . ?
O6 C29 O5 124.9(4) . . ?
C31 C30 C29 119.0(3) . . ?
C31 C30 C35 120.0 . . ?
C35 C30 C29 120.8(3) . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C30 C35 H35 120.0 . . ?
C34 C35 C30 120.0 . . ?
C34 C35 H35 120.0 . . ?
O16 C36 C37 129.6(5) . . ?
O16 C36 C37A 102.6(5) . . ?
O18 C36 C37 109.0(11) . . ?
O18 C36 O16 120.3(10) . . ?
O18A C36 C37A 126.4(11) . . ?
O18A C36 O16 128.0(12) . . ?
C38 C37 C36 112.8(5) . . ?
C38 C37 C42 120.0 . . ?
C42 C37 C36 126.9(5) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 C37 120.0 . . ?
C39 C38 H38 120.0 . . ?
C38 C39 H39 120.0 . . ?
C38 C39 C40 120.0 . . ?
C40 C39 H39 120.0 . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 C40 120.0 . . ?
C42 C41 H41 120.0 . . ?
C37 C42 H42 120.0 . . ?
C41 C42 C37 120.0 . . ?
C41 C42 H42 120.0 . . ?
C38A C37A C36 125.3(5) . . ?
C38A C37A C42A 120.0 . . ?
C42A C37A C36 114.4(5) . . ?
C37A C38A H38A 120.0 . . ?
C37A C38A C39A 120.0 . . ?
C39A C38A H38A 120.0 . . ?
C38A C39A H39A 120.0 . . ?
C38A C39A C40A 120.0 . . ?
C39A C39A C38A 117.1(11) 2_756 . ?
C39A C39A H39A 55.4 2_756 . ?
C39A C39A C40A 96.5(10) 2_756 . ?
C40A C39A H39A 120.0 . . ?
C39A C40A H40A 120.0 . . ?
C39A C40A C41A 120.0 . . ?
C41A C40A H40A 120.0 . . ?
C40A C41A H41A 120.0 . . ?
C40A C41A C42A 120.0 . . ?
C42A C41A H41A 120.0 . . ?
C37A C42A H42A 120.0 . . ?
C41A C42A C37A 120.0 . . ?
C41A C42A H42A 120.0 . . ?
O17 C43 C44 115.1(4) . . ?
O17 C43 O19 121.7(9) . . ?
O19 C43 C44 121.2(9) . . ?
O19A C43 C44 117.1(9) . . ?
O19A C43 O17 125.9(9) . . ?
C45 C44 C43 119.5(5) . . ?
C49 C44 C43 121.0(4) . . ?
C49 C44 C45 119.4(5) . . ?
C44 C45 H45 119.9 . . ?
C44 C45 C46 120.3(6) . . ?
C46 C45 H45 119.9 . . ?
C45 C46 H46 120.0 . . ?
C47 C46 C45 120.0(6) . . ?
C47 C46 H46 120.0 . . ?
C46 C47 H47 120.0 . . ?
C46 C47 C48 120.0(6) . . ?
C48 C47 H47 120.0 . . ?
C47 C48 H48 119.7 . . ?
C47 C48 C49 120.6(6) . . ?
C49 C48 H48 119.7 . . ?
C44 C49 C48 119.7(6) . . ?
C44 C49 H49 120.1 . . ?
C48 C49 H49 120.1 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C51 C50 H50A 109.5 . . ?
C51 C50 H50B 109.5 . . ?
C51 C50 H50C 109.5 . . ?
C52 C51 C50 120.7(6) . . ?
C56 C51 C50 121.6(6) . . ?
C56 C51 C52 117.7(5) . . ?
C51 C52 H52 119.4 . . ?
C53 C52 C51 121.2(5) . . ?
C53 C52 H52 119.4 . . ?
C52 C53 H53 119.5 . . ?
C54 C53 C52 121.0(5) . . ?
C54 C53 H53 119.5 . . ?
C53 C54 C55 118.1(5) . . ?
C53 C54 P1 119.7(4) . . ?
C55 C54 P1 122.1(4) . . ?
C54 C55 H55 120.0 . . ?
C56 C55 C54 120.0(5) . . ?
C56 C55 H55 120.0 . . ?
C51 C56 C55 121.9(5) . . ?
C51 C56 H56 119.0 . . ?
C55 C56 H56 119.0 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C58 C57 H57A 109.5 . . ?
C58 C57 H57B 109.5 . . ?
C58 C57 H57C 109.5 . . ?
C59 C58 C57 121.7(5) . . ?
C59 C58 C63 118.0(4) . . ?
C63 C58 C57 120.3(5) . . ?
C58 C59 H59 119.3 . . ?
C58 C59 C60 121.5(5) . . ?
C60 C59 H59 119.3 . . ?
C59 C60 H60 120.0 . . ?
C59 C60 C61 120.1(5) . . ?
C61 C60 H60 120.0 . . ?
C60 C61 P1 117.9(4) . . ?
C62 C61 C60 118.4(4) . . ?
C62 C61 P1 123.6(4) . . ?
C61 C62 H62 119.7 . . ?
C63 C62 C61 120.5(5) . . ?
C63 C62 H62 119.7 . . ?
C58 C63 H63 119.3 . . ?
C62 C63 C58 121.4(5) . . ?
C62 C63 H63 119.3 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C65 C64 H64A 109.5 . . ?
C65 C64 H64B 109.5 . . ?
C65 C64 H64C 109.5 . . ?
C66 C65 C64 120.8(7) . . ?
C66 C65 C70 117.5(6) . . ?
C70 C65 C64 121.7(7) . . ?
C65 C66 H66 119.2 . . ?
C65 C66 C67 121.6(6) . . ?
C67 C66 H66 119.2 . . ?
C66 C67 H67 119.2 . . ?
C68 C67 C66 121.6(6) . . ?
C68 C67 H67 119.2 . . ?
C67 C68 C69 117.3(5) . . ?
C67 C68 P1 118.4(4) . . ?
C69 C68 P1 124.2(4) . . ?
C68 C69 H69 120.0 . . ?
C68 C69 C70 120.0(5) . . ?
C70 C69 H69 120.0 . . ?
C65 C70 C69 121.9(6) . . ?
C65 C70 H70 119.1 . . ?
C69 C70 H70 119.1 . . ?
N1 C71 C72 178.8(8) . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C1 O1 Ti1 130.8(3) . . ?
C1 O2 Ti3 131.4(3) . 2_666 ?
C8 O3 Ti2 127.1(3) . . ?
C8 O4 Ti4 127.1(3) . 2_666 ?
C29 O5 Ti2 127.0(3) . . ?
C29 O6 Ti1 125.5(3) . 2_666 ?
C15 O7 Ti1 133.7(3) . . ?
C15 O8 Ti4 128.9(3) . . ?
C22 O9 Ti2 131.4(3) . . ?
C22 O10 Ti3 129.1(3) . . ?
Ti2 O11 Ti1 145.73(16) . . ?
Ti1 O12 Ti2 99.59(13) 2_666 . ?
Ti1 O12 Ti3 130.70(15) 2_666 . ?
Ti2 O12 Ti3 129.69(14) . . ?
Ti3 O13 Ti4 97.84(13) . . ?
Ti3 O14 Ag1 121.50(14) . . ?
Ti4 O14 Ag1 124.81(14) . . ?
Ti4 O14 Ti3 95.80(13) . . ?
Ti1 O15 Ti2 99.67(13) . 2_666 ?
Ti1 O15 Ti4 130.37(14) . . ?
Ti2 O15 Ti4 129.94(15) 2_666 . ?
C36 O16 Ti3 138.1(3) . . ?
C43 O17 Ti4 139.9(3) . . ?
C36 O18 Ag1 131.7(14) . . ?
C43 O19 Ag1 115.7(10) . . ?
C36 O18A Ag1 120.0(12) . . ?
C43 O19A Ag1 133.9(13) . . ?
C54 P1 Ag1 115.85(16) . . ?
C54 P1 C61 104.4(2) . . ?
C54 P1 C68 104.4(2) . . ?
C61 P1 Ag1 115.09(15) . . ?
C61 P1 C68 105.0(2) . . ?
C68 P1 Ag1 110.89(16) . . ?
O1 Ti1 O6 81.54(12) . 2_666 ?
O1 Ti1 Ti2 129.53(9) . 2_666 ?
O6 Ti1 Ti2 80.71(8) 2_666 2_666 ?
O7 Ti1 O1 92.53(12) . . ?
O7 Ti1 O6 81.99(12) . 2_666 ?
O7 Ti1 Ti2 130.70(9) . 2_666 ?
O11 Ti1 O1 95.10(13) . . ?
O11 Ti1 O6 173.42(12) . 2_666 ?
O11 Ti1 O7 92.55(12) . . ?
O11 Ti1 O12 98.21(12) . 2_666 ?
O11 Ti1 O15 98.79(12) . . ?
O11 Ti1 Ti2 105.72(9) . 2_666 ?
O12 Ti1 O1 92.29(12) 2_666 . ?
O12 Ti1 O6 87.61(11) 2_666 2_666 ?
O12 Ti1 O7 167.77(12) 2_666 . ?
O12 Ti1 Ti2 40.24(8) 2_666 2_666 ?
O15 Ti1 O1 165.00(12) . . ?
O15 Ti1 O6 85.17(12) . 2_666 ?
O15 Ti1 O7 92.50(12) . . ?
O15 Ti1 O12 80.17(12) . 2_666 ?
O15 Ti1 Ti2 40.36(8) . 2_666 ?
O3 Ti2 O5 80.45(12) . . ?
O3 Ti2 O9 95.20(13) . . ?
O3 Ti2 Ti1 127.15(9) . 2_666 ?
O5 Ti2 Ti1 80.27(8) . 2_666 ?
O9 Ti2 O5 80.71(12) . . ?
O9 Ti2 Ti1 129.06(9) . 2_666 ?
O11 Ti2 O3 92.65(12) . . ?
O11 Ti2 O5 171.06(12) . . ?
O11 Ti2 O9 94.37(12) . . ?
O11 Ti2 O12 100.85(12) . . ?
O11 Ti2 O15 100.55(12) . 2_666 ?
O11 Ti2 Ti1 108.54(9) . 2_666 ?
O12 Ti2 O3 164.14(12) . . ?
O12 Ti2 O5 86.85(12) . . ?
O12 Ti2 O9 92.06(12) . . ?
O12 Ti2 O15 79.71(11) . 2_666 ?
O12 Ti2 Ti1 40.17(8) . 2_666 ?
O15 Ti2 O3 89.73(12) 2_666 . ?
O15 Ti2 O5 85.19(11) 2_666 . ?
O15 Ti2 O9 164.06(12) 2_666 . ?
O15 Ti2 Ti1 39.98(8) 2_666 2_666 ?
O10 Ti3 O2 91.27(12) . 2_666 ?
O12 Ti3 O2 85.29(11) . 2_666 ?
O12 Ti3 O10 85.59(12) . . ?
O13 Ti3 O2 176.23(13) . 2_666 ?
O13 Ti3 O10 92.48(13) . . ?
O13 Ti3 O12 94.69(12) . . ?
O13 Ti3 O14 83.15(12) . . ?
O13 Ti3 O16 98.36(14) . . ?
O14 Ti3 O2 93.09(12) . 2_666 ?
O14 Ti3 O10 175.59(13) . . ?
O14 Ti3 O12 95.34(12) . . ?
O14 Ti3 O16 96.10(13) . . ?
O16 Ti3 O2 82.34(13) . 2_666 ?
O16 Ti3 O10 83.90(13) . . ?
O16 Ti3 O12 163.56(13) . . ?
O8 Ti4 O4 91.72(12) . 2_666 ?
O13 Ti4 O4 176.73(12) . 2_666 ?
O13 Ti4 O8 91.12(12) . . ?
O13 Ti4 O15 94.23(12) . . ?
O13 Ti4 O17 97.86(13) . . ?
O14 Ti4 O4 94.00(12) . 2_666 ?
O14 Ti4 O8 174.10(13) . . ?
O14 Ti4 O13 83.20(12) . . ?
O14 Ti4 O15 94.92(12) . . ?
O14 Ti4 O17 96.64(13) . . ?
O15 Ti4 O4 84.31(12) . 2_666 ?
O15 Ti4 O8 87.08(12) . . ?
O17 Ti4 O4 84.11(12) . 2_666 ?
O17 Ti4 O8 82.49(12) . . ?
O17 Ti4 O15 164.15(13) . . ?

# (APPEND TO CIF)
_vrf_PLAT026_1                   
;
PROBLEM:  Short Inter H...H Contact  H34 ..H42A  
RESPONSE: This is because one phenyl ring of benzoic acid was disorder.
It was splitted into two parts (C37-C42 and C37A-C42A ), which were 
refined under AFIX 66. 
;

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1916928'
loop_
_audit_author_name
_audit_author_address
'Youzhu Yu'
;Anyang Institute of Technology
China
;
_audit_update_record             
;
2019-07-17 deposited with the CCDC.	2019-08-07 downloaded from the CCDC.
;
_audit_creation_date             2019-07-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C190 H212 Ag2 O38 P2 Ti8, 4(C2 H3 N)'
_chemical_formula_sum            'C198 H224 Ag2 N4 O38 P2 Ti8'
_chemical_formula_weight         3928.68
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.6988(3)
_cell_length_b                   18.6668(3)
_cell_length_c                   19.6322(3)
_cell_angle_alpha                107.8060(10)
_cell_angle_beta                 112.2850(10)
_cell_angle_gamma                104.1300(10)
_cell_volume                     4920.38(15)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9654
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      32.81
_cell_measurement_theta_min      2.77
_shelx_estimated_absorpt_T_max   0.896
_shelx_estimated_absorpt_T_min   0.857
_exptl_absorpt_coefficient_mu    0.588
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2044
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_av_unetI/netI     0.0200
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            78290
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         1.834
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                21452
_reflns_number_total             24262
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_refine_diff_density_max         1.550
_refine_diff_density_min         -1.371
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1021
_refine_ls_number_reflns         24262
_refine_ls_number_restraints     956
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0439
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0556P)²+7.9318P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1120
_refine_ls_wR_factor_ref         0.1183
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H,H) groups
2. Restrained distances
 N1-C97
 1.15 with sigma of 0.01
 C91-C90 = C90-C92 = C90-C93 = C96-C97 = C94-C95
 1.52 with sigma of 0.01
3. Rigid bond restraints
 C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14, C15, C16, C017,
 C17, C18, C19, C20, C21, C19A, C20A, C21A, C22, C23, C24, C25, C26, C27, C28,
 C29, C30, C31, C32, C33, C34, C35, C36, C37, C38, C39, C40, C41, C42, C43, C44,
  C45, C46, C47, C48, C49, C50, C51, C52, C53, C54, C55, C56, C57, C58, C59,
 C60, C61, C62, C63, C64, C65, C66, C67, C68, C69, C70, C71, C72, C73, C74, C75,
  C76, C77, C78, C79, C80, C81, C82, C83, C84, C85, C86, C87, C88, C89, C90,
 C91, C92, C93, C94, C95, C96, C97, C02Q
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim
C017 \\sim C17 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C19A \\sim C20A
\\sim C21A \\sim C22 \\sim C23 \\sim C24 \\sim C25 \\sim C26 \\sim C27 \\sim
C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35 \\sim
C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim
C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49 \\sim C50 \\sim C51 \\sim
C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim
C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65 \\sim C66 \\sim C67 \\sim
C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72 \\sim C73 \\sim C74 \\sim C75 \\sim
C76 \\sim C77 \\sim C78 \\sim C79 \\sim C80 \\sim C81 \\sim C82 \\sim C83 \\sim
C84 \\sim C85 \\sim C86 \\sim C87 \\sim C88 \\sim C89 \\sim C90 \\sim C91 \\sim
C92 \\sim C93 \\sim C94 \\sim C95 \\sim C96 \\sim C97 \\sim C02Q: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C19) \\sim Ueq, Uanis(C20A) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C19A)
\\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(N2) \\sim Ueq,
Uanis(C96) \\sim Ueq, Uanis(C97) \\sim Ueq, Uanis(C94) \\sim Ueq, Uanis(C95)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C29) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(N2) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C8) = Uanis(C9) = Uanis(C10) = Uanis(C02Q)
Uanis(C40) = Uanis(C41) = Uanis(C42) = Uanis(C43)
Uanis(C29) = Uanis(C30) = Uanis(C31) = Uanis(C32)
Uanis(C18) = Uanis(C19) = Uanis(C19A) = Uanis(C20) = Uanis(C20A) = Uanis(C21) =
Uanis(C21A)
Uanis(C79) = Uanis(C80) = Uanis(C81) = Uanis(C82)
Uanis(C90) = Uanis(C91) = Uanis(C92) = Uanis(C93)
Uanis(C69) = Uanis(C70) = Uanis(C71) = Uanis(C72)
5. Others
 Sof(C19A)=Sof(H19D)=Sof(H19E)=Sof(H19F)=Sof(C20A)=Sof(H20D)=Sof(H20E)=
 Sof(H20F)=Sof(C21A)=Sof(H21D)=Sof(H21E)=Sof(H21F)=1-FVAR(1)
 Sof(C19)=Sof(H19A)=Sof(H19B)=Sof(H19C)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=FVAR(1)
6.a Me refined with riding coordinates:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C19A(H19D,H19E,H19F), C20A(H20D,H20E,H20F),
 C21A(H21D,H21E,H21F), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C70(H70A,
 H70B,H70C), C71(H71A,H71B,H71C), C72(H72A,H72B,H72C), C80(H80A,H80B,H80C),
 C81(H81A,H81B,H81C), C82(H82A,H82B,H82C), C91(H91A,H91B,H91C), C92(H92A,H92B,
 H92C), C93(H93A,H93B,H93C), C02Q(H02A,H02B,H02C)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C13(H13), C14(H14), C16(H16), C017(H017),
 C17(H17), C24(H24), C25(H25), C27(H27), C28(H28), C35(H35), C36(H36), C38(H38),
  C39(H39), C45(H45), C46(H46), C47(H47), C48(H48), C49(H49), C51(H51),
 C52(H52), C53(H53), C54(H54), C55(H55), C57(H57), C58(H58), C59(H59), C60(H60),
  C61(H61), C64(H64), C65(H65), C67(H67), C68(H68), C74(H74), C76(H76),
 C78(H78), C85(H85), C86(H86), C88(H88), C89(H89)
6.c Idealised Me refined as rotating group:
 C94(H94A,H94B,H94C), C96(H96A,H96B,H96C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.47392(2) 0.52731(2) 0.77992(2) 0.02336(5) Uani 1 1 d . . . . .
C1 C 0.33447(15) 0.32933(13) 0.68034(13) 0.0200(4) Uani 1 1 d . U . . .
C2 C 0.28646(15) 0.24792(13) 0.67562(13) 0.0214(4) Uani 1 1 d . U . . .
C3 C 0.30753(17) 0.23763(14) 0.74668(14) 0.0260(4) Uani 1 1 d . U . . .
H3 H 0.3549 0.2809 0.7972 0.031 Uiso 1 1 calc R . . . .
C4 C 0.2587(2) 0.16368(15) 0.74305(15) 0.0315(5) Uani 1 1 d . U . . .
H4 H 0.2741 0.1579 0.7913 0.038 Uiso 1 1 calc R . . . .
C5 C 0.1874(2) 0.09823(16) 0.66874(17) 0.0357(6) Uani 1 1 d . U . . .
C6 C 0.1697(2) 0.10855(16) 0.59776(16) 0.0401(6) Uani 1 1 d . U . . .
H6 H 0.1240 0.0647 0.5470 0.048 Uiso 1 1 calc R . . . .
C7 C 0.21769(19) 0.18189(15) 0.60039(15) 0.0313(5) Uani 1 1 d . U . . .
H7 H 0.2040 0.1870 0.5520 0.038 Uiso 1 1 calc R . . . .
C8 C 0.1268(3) 0.0177(2) 0.6624(3) 0.0708(6) Uani 1 1 d . U . . .
C9 C 0.1240(3) -0.0556(2) 0.6004(3) 0.0708(6) Uani 1 1 d . U . . .
H9A H 0.1022 -0.0534 0.5486 0.085 Uiso 1 1 calc R . . . .
H9B H 0.1864 -0.0549 0.6190 0.085 Uiso 1 1 calc R . . . .
H9C H 0.0815 -0.1054 0.5940 0.085 Uiso 1 1 calc R . . . .
C10 C 0.0241(3) 0.0152(2) 0.6350(3) 0.0708(6) Uani 1 1 d . U . . .
H10A H 0.0267 0.0622 0.6749 0.085 Uiso 1 1 calc R . . . .
H10B H -0.0008 0.0162 0.5826 0.085 Uiso 1 1 calc R . . . .
H10C H -0.0163 -0.0344 0.6306 0.085 Uiso 1 1 calc R . . . .
C11 C 0.28760(16) 0.55919(14) 0.70925(14) 0.0221(4) Uani 1 1 d . U . . .
C12 C 0.21640(16) 0.59560(14) 0.70446(14) 0.0228(4) Uani 1 1 d . U . . .
C13 C 0.13373(18) 0.56741(16) 0.63127(16) 0.0318(5) Uani 1 1 d . U . . .
H13 H 0.1210 0.5240 0.5842 0.038 Uiso 1 1 calc R . . . .
C14 C 0.06999(18) 0.60370(17) 0.62808(17) 0.0356(6) Uani 1 1 d . U . . .
H14 H 0.0142 0.5831 0.5789 0.043 Uiso 1 1 calc R . . . .
C15 C 0.08721(17) 0.67026(16) 0.69664(17) 0.0301(5) Uani 1 1 d . U . . .
C16 C 0.1707(2) 0.69791(18) 0.76922(17) 0.0364(6) Uani 1 1 d . U . . .
H16 H 0.1845 0.7424 0.8160 0.044 Uiso 1 1 calc R . . . .
C017 C 0.83605(18) 0.86193(16) 0.75502(15) 0.0326(5) Uani 1 1 d . U . . .
H017 H 0.8290 0.8182 0.7688 0.039 Uiso 1 1 calc R . . . .
C17 C 0.23380(19) 0.66071(17) 0.77349(15) 0.0331(5) Uani 1 1 d . U . . .
H17 H 0.2884 0.6797 0.8232 0.040 Uiso 1 1 calc R . . . .
C18 C 0.0162(2) 0.7102(2) 0.6904(2) 0.0492(5) Uani 1 1 d . U . . .
C19 C 0.0031(3) 0.7422(3) 0.6258(3) 0.0492(5) Uani 0.712(4) 1 d . U P A 1
H19A H 0.0632 0.7810 0.6400 0.059 Uiso 0.712(4) 1 calc R . P A 1
H19B H -0.0226 0.6969 0.5731 0.059 Uiso 0.712(4) 1 calc R . P A 1
H19C H -0.0397 0.7687 0.6237 0.059 Uiso 0.712(4) 1 calc R . P A 1
C20 C -0.0776(3) 0.6492(3) 0.6689(4) 0.0492(5) Uani 0.712(4) 1 d . U P A 1
H20A H -0.0687 0.6294 0.7099 0.059 Uiso 0.712(4) 1 calc R . P A 1
H20B H -0.1206 0.6756 0.6669 0.059 Uiso 0.712(4) 1 calc R . P A 1
H20C H -0.1035 0.6037 0.6163 0.059 Uiso 0.712(4) 1 calc R . P A 1
C21 C 0.0524(3) 0.7873(3) 0.7724(3) 0.0492(5) Uani 0.712(4) 1 d . U P A 1
H21A H 0.1123 0.8268 0.7869 0.059 Uiso 0.712(4) 1 calc R . P A 1
H21B H 0.0073 0.8117 0.7652 0.059 Uiso 0.712(4) 1 calc R . P A 1
H21C H 0.0599 0.7707 0.8153 0.059 Uiso 0.712(4) 1 calc R . P A 1
C19A C -0.0684(8) 0.6687(7) 0.5938(8) 0.0492(5) Uani 0.288(4) 1 d . U P A 2
H19D H -0.0979 0.6101 0.5737 0.059 Uiso 0.288(4) 1 calc R . P A 2
H19E H -0.1150 0.6911 0.5905 0.059 Uiso 0.288(4) 1 calc R . P A 2
H19F H -0.0415 0.6808 0.5611 0.059 Uiso 0.288(4) 1 calc R . P A 2
C20A C -0.0402(8) 0.6788(7) 0.7273(9) 0.0492(5) Uani 0.288(4) 1 d . U P A 2
H20D H -0.0674 0.6196 0.7013 0.059 Uiso 0.288(4) 1 calc R . P A 2
H20E H 0.0008 0.6988 0.7851 0.059 Uiso 0.288(4) 1 calc R . P A 2
H20F H -0.0899 0.6979 0.7191 0.059 Uiso 0.288(4) 1 calc R . P A 2
C21A C 0.0609(8) 0.7962(7) 0.7219(8) 0.0492(5) Uani 0.288(4) 1 d . U P A 2
H21D H 0.0946 0.8090 0.6940 0.059 Uiso 0.288(4) 1 calc R . P A 2
H21E H 0.0141 0.8187 0.7136 0.059 Uiso 0.288(4) 1 calc R . P A 2
H21F H 0.1047 0.8195 0.7796 0.059 Uiso 0.288(4) 1 calc R . P A 2
C22 C 0.56885(15) 0.38585(12) 0.68273(12) 0.0179(4) Uani 1 1 d . U . . .
C23 C 0.62094(15) 0.37774(13) 0.75859(13) 0.0204(4) Uani 1 1 d . U . . .
C24 C 0.57512(17) 0.32072(14) 0.77793(14) 0.0250(4) Uani 1 1 d . U . . .
H24 H 0.5112 0.2861 0.7427 0.030 Uiso 1 1 calc R . . . .
C25 C 0.62473(19) 0.31538(16) 0.84994(15) 0.0307(5) Uani 1 1 d . U . . .
H25 H 0.5934 0.2765 0.8618 0.037 Uiso 1 1 calc R . . . .
C26 C 0.71991(19) 0.36666(15) 0.90458(14) 0.0302(5) Uani 1 1 d . U . . .
C27 C 0.76492(19) 0.42312(16) 0.88384(16) 0.0343(5) Uani 1 1 d . U . . .
H27 H 0.8288 0.4577 0.9190 0.041 Uiso 1 1 calc R . . . .
C28 C 0.71636(17) 0.42873(15) 0.81189(15) 0.0293(5) Uani 1 1 d . U . . .
H28 H 0.7479 0.4668 0.7994 0.035 Uiso 1 1 calc R . . . .
C29 C 0.7773(3) 0.3623(2) 0.9844(2) 0.0562(4) Uani 1 1 d . U . . .
C30 C 0.8367(3) 0.4500(2) 1.0558(2) 0.0562(4) Uani 1 1 d . U . . .
H30A H 0.7954 0.4760 1.0622 0.067 Uiso 1 1 calc R . . . .
H30B H 0.8719 0.4468 1.1056 0.067 Uiso 1 1 calc R . . . .
H30C H 0.8798 0.4816 1.0441 0.067 Uiso 1 1 calc R . . . .
C31 C 0.8377(3) 0.3169(2) 0.9703(2) 0.0562(4) Uani 1 1 d . U . . .
H31A H 0.8780 0.3450 0.9542 0.067 Uiso 1 1 calc R . . . .
H31B H 0.8760 0.3152 1.0202 0.067 Uiso 1 1 calc R . . . .
H31C H 0.7974 0.2616 0.9278 0.067 Uiso 1 1 calc R . . . .
C32 C 0.7141(3) 0.3161(2) 1.0100(2) 0.0562(4) Uani 1 1 d . U . . .
H32A H 0.6752 0.3440 1.0192 0.067 Uiso 1 1 calc R . . . .
H32B H 0.6744 0.2609 0.9673 0.067 Uiso 1 1 calc R . . . .
H32C H 0.7530 0.3145 1.0597 0.067 Uiso 1 1 calc R . . . .
C33 C 0.51324(16) 0.69326(13) 0.71877(12) 0.0200(4) Uani 1 1 d . U . . .
C34 C 0.54982(16) 0.77930(13) 0.78089(13) 0.0230(4) Uani 1 1 d . U . . .
C35 C 0.49778(19) 0.80451(15) 0.81662(16) 0.0307(5) Uani 1 1 d . U . . .
H35 H 0.4415 0.7661 0.8056 0.037 Uiso 1 1 calc R . . . .
C36 C 0.5299(2) 0.88717(16) 0.86889(17) 0.0369(6) Uani 1 1 d . U . . .
H36 H 0.4951 0.9035 0.8931 0.044 Uiso 1 1 calc R . . . .
C37 C 0.6129(2) 0.94561(15) 0.88559(17) 0.0364(6) Uani 1 1 d . U . . .
C38 C 0.6659(2) 0.91879(16) 0.85134(18) 0.0394(6) Uani 1 1 d . U . . .
H38 H 0.7228 0.9569 0.8632 0.047 Uiso 1 1 calc R . . . .
C39 C 0.63514(19) 0.83672(15) 0.80020(16) 0.0328(5) Uani 1 1 d . U . . .
H39 H 0.6719 0.8199 0.7786 0.039 Uiso 1 1 calc R . . . .
C40 C 0.6442(4) 1.0383(2) 0.9355(3) 0.0742(6) Uani 1 1 d . U . . .
C41 C 0.5860(3) 1.0570(2) 0.9756(3) 0.0742(6) Uani 1 1 d . U . . .
H41A H 0.5201 1.0310 0.9347 0.089 Uiso 1 1 calc R . . . .
H41B H 0.5955 1.0363 1.0159 0.089 Uiso 1 1 calc R . . . .
H41C H 0.6052 1.1155 1.0018 0.089 Uiso 1 1 calc R . . . .
C42 C 0.6335(4) 1.0755(2) 0.8735(3) 0.0742(6) Uani 1 1 d . U . . .
H42A H 0.6707 1.0634 0.8481 0.089 Uiso 1 1 calc R . . . .
H42B H 0.5680 1.0520 0.8321 0.089 Uiso 1 1 calc R . . . .
H42C H 0.6550 1.1342 0.9020 0.089 Uiso 1 1 calc R . . . .
C43 C 0.7471(3) 1.0788(2) 0.9995(3) 0.0742(6) Uani 1 1 d . U . . .
H43A H 0.7843 1.0669 0.9740 0.089 Uiso 1 1 calc R . . . .
H43B H 0.7663 1.1374 1.0257 0.089 Uiso 1 1 calc R . . . .
H43C H 0.7565 1.0581 1.0398 0.089 Uiso 1 1 calc R . . . .
C44 C 0.62939(18) 0.71553(14) 0.95790(14) 0.0276(5) Uani 1 1 d . U . . .
C45 C 0.5531(2) 0.72032(18) 0.96923(19) 0.0399(6) Uani 1 1 d . U . . .
H45 H 0.4991 0.6726 0.9464 0.048 Uiso 1 1 calc R . . . .
C46 C 0.5571(3) 0.7958(2) 1.0143(2) 0.0512(8) Uani 1 1 d . U . . .
H46 H 0.5068 0.7985 1.0231 0.061 Uiso 1 1 calc R . . . .
C47 C 0.6360(3) 0.8672(2) 1.0461(2) 0.0556(9) Uani 1 1 d . U . . .
H47 H 0.6390 0.9180 1.0765 0.067 Uiso 1 1 calc R . . . .
C48 C 0.7095(3) 0.86280(19) 1.0328(2) 0.0562(9) Uani 1 1 d . U . . .
H48 H 0.7619 0.9110 1.0532 0.067 Uiso 1 1 calc R . . . .
C49 C 0.7070(2) 0.78722(17) 0.98905(18) 0.0417(6) Uani 1 1 d . U . . .
H49 H 0.7579 0.7851 0.9808 0.050 Uiso 1 1 calc R . . . .
C50 C 0.62781(16) 0.56859(14) 0.97434(13) 0.0230(4) Uani 1 1 d . U . . .
C51 C 0.57864(17) 0.48416(15) 0.94175(14) 0.0270(4) Uani 1 1 d . U . . .
H51 H 0.5452 0.4522 0.8851 0.032 Uiso 1 1 calc R . . . .
C52 C 0.5790(2) 0.44711(17) 0.99300(17) 0.0337(5) Uani 1 1 d . U . . .
H52 H 0.5458 0.3904 0.9708 0.040 Uiso 1 1 calc R . . . .
C53 C 0.6289(2) 0.49463(18) 1.07770(16) 0.0345(5) Uani 1 1 d . U . . .
H53 H 0.6298 0.4698 1.1123 0.041 Uiso 1 1 calc R . . . .
C54 C 0.67715(19) 0.57849(18) 1.11022(15) 0.0340(5) Uani 1 1 d . U . . .
H54 H 0.7100 0.6102 1.1669 0.041 Uiso 1 1 calc R . . . .
C55 C 0.67736(18) 0.61635(16) 1.05973(14) 0.0296(5) Uani 1 1 d . U . . .
H55 H 0.7102 0.6731 1.0823 0.035 Uiso 1 1 calc R . . . .
C56 C 0.72828(16) 0.62819(14) 0.89711(14) 0.0244(4) Uani 1 1 d . U . . .
C57 C 0.81184(17) 0.63689(15) 0.95996(15) 0.0298(5) Uani 1 1 d . U . . .
H57 H 0.8141 0.6366 1.0079 0.036 Uiso 1 1 calc R . . . .
C58 C 0.89117(18) 0.64594(17) 0.95047(18) 0.0380(6) Uani 1 1 d . U . . .
H58 H 0.9466 0.6514 0.9921 0.046 Uiso 1 1 calc R . . . .
C59 C 0.8886(2) 0.64696(19) 0.8793(2) 0.0424(6) Uani 1 1 d . U . . .
H59 H 0.9424 0.6536 0.8736 0.051 Uiso 1 1 calc R . . . .
C60 C 0.8063(2) 0.6381(2) 0.81681(19) 0.0413(6) Uani 1 1 d . U . . .
H60 H 0.8047 0.6389 0.7692 0.050 Uiso 1 1 calc R . . . .
C61 C 0.72583(19) 0.62803(17) 0.82538(16) 0.0328(5) Uani 1 1 d . U . . .
H61 H 0.6701 0.6211 0.7829 0.039 Uiso 1 1 calc R . . . .
C62 C 0.76590(15) 0.44602(13) 0.55271(13) 0.0200(4) Uani 1 1 d . U . . .
C63 C 0.83836(15) 0.41522(14) 0.58687(14) 0.0229(4) Uani 1 1 d . U . . .
C64 C 0.8722(2) 0.42333(17) 0.66593(16) 0.0338(5) Uani 1 1 d . U . . .
H64 H 0.8513 0.4500 0.6996 0.041 Uiso 1 1 calc R . . . .
C65 C 0.9379(2) 0.39120(19) 0.69496(17) 0.0390(6) Uani 1 1 d . U . . .
H65 H 0.9609 0.3972 0.7485 0.047 Uiso 1 1 calc R . . . .
C66 C 0.96955(18) 0.35069(16) 0.64603(16) 0.0328(5) Uani 1 1 d . U . . .
C67 C 0.9354(2) 0.3442(2) 0.56729(17) 0.0401(6) Uani 1 1 d . U . . .
H67 H 0.9561 0.3174 0.5334 0.048 Uiso 1 1 calc R . . . .
C68 C 0.8715(2) 0.37649(18) 0.53800(16) 0.0343(5) Uani 1 1 d . U . . .
H68 H 0.8504 0.3723 0.4852 0.041 Uiso 1 1 calc R . . . .
C69 C 1.0423(2) 0.3148(2) 0.6752(2) 0.0533(4) Uani 1 1 d . U . . .
C70 C 1.1340(2) 0.3647(2) 0.6795(2) 0.0533(4) Uani 1 1 d . U . . .
H70A H 1.1582 0.4214 0.7176 0.064 Uiso 1 1 calc R . . . .
H70B H 1.1804 0.3430 0.6974 0.064 Uiso 1 1 calc R . . . .
H70C H 1.1204 0.3607 0.6260 0.064 Uiso 1 1 calc R . . . .
C71 C 1.0040(2) 0.2250(2) 0.6149(2) 0.0533(4) Uani 1 1 d . U . . .
H71A H 0.9891 0.2209 0.5612 0.064 Uiso 1 1 calc R . . . .
H71B H 1.0509 0.2036 0.6322 0.064 Uiso 1 1 calc R . . . .
H71C H 0.9477 0.1937 0.6132 0.064 Uiso 1 1 calc R . . . .
C72 C 1.0656(3) 0.3198(2) 0.7606(2) 0.0533(4) Uani 1 1 d . U . . .
H72A H 1.0900 0.3762 0.7994 0.064 Uiso 1 1 calc R . . . .
H72B H 1.0091 0.2881 0.7583 0.064 Uiso 1 1 calc R . . . .
H72C H 1.1123 0.2981 0.7773 0.064 Uiso 1 1 calc R . . . .
C73 C 0.72279(14) 0.76143(12) 0.60901(13) 0.0199(4) Uani 1 1 d . U . . .
C74 C 0.7997(2) 0.91287(15) 0.65374(17) 0.0371(6) Uani 1 1 d . U . . .
H74 H 0.7696 0.9035 0.5992 0.044 Uiso 1 1 calc R . . . .
C75 C 0.78876(16) 0.84701(13) 0.67324(14) 0.0242(4) Uani 1 1 d . U . . .
C76 C 0.8940(2) 0.94235(17) 0.81616(17) 0.0405(6) Uani 1 1 d . U . . .
H76 H 0.9269 0.9516 0.8704 0.049 Uiso 1 1 calc R . . . .
C77 C 0.9036(2) 1.00881(16) 0.79793(18) 0.0407(6) Uani 1 1 d . U . . .
C78 C 0.8556(2) 0.99268(17) 0.7157(2) 0.0460(7) Uani 1 1 d . U . . .
H78 H 0.8612 1.0365 0.7021 0.055 Uiso 1 1 calc R . . . .
C79 C 0.9615(3) 1.0983(2) 0.8654(3) 0.0723(6) Uani 1 1 d . U . . .
C80 C 1.0295(3) 1.1461(2) 0.8453(3) 0.0723(6) Uani 1 1 d . U . . .
H80A H 0.9947 1.1429 0.7919 0.087 Uiso 1 1 calc R . . . .
H80B H 1.0619 1.2028 0.8856 0.087 Uiso 1 1 calc R . . . .
H80C H 1.0750 1.1230 0.8457 0.087 Uiso 1 1 calc R . . . .
C81 C 1.0174(3) 1.1043(2) 0.9492(3) 0.0723(6) Uani 1 1 d . U . . .
H81A H 1.0619 1.0801 0.9488 0.087 Uiso 1 1 calc R . . . .
H81B H 1.0511 1.1612 0.9889 0.087 Uiso 1 1 calc R . . . .
H81C H 0.9751 1.0754 0.9633 0.087 Uiso 1 1 calc R . . . .
C82 C 0.8933(3) 1.1375(2) 0.8707(3) 0.0723(6) Uani 1 1 d . U . . .
H82A H 0.8558 1.1351 0.8183 0.087 Uiso 1 1 calc R . . . .
H82B H 0.8524 1.1082 0.8858 0.087 Uiso 1 1 calc R . . . .
H82C H 0.9284 1.1940 0.9114 0.087 Uiso 1 1 calc R . . . .
C83 C 0.53469(16) 0.26752(13) 0.46024(13) 0.0201(4) Uani 1 1 d . U . . .
C84 C 0.54781(18) 0.18896(14) 0.44550(15) 0.0267(5) Uani 1 1 d . U . . .
C85 C 0.6327(2) 0.18886(17) 0.49469(18) 0.0371(6) Uani 1 1 d . U . . .
H85 H 0.6826 0.2383 0.5368 0.045 Uiso 1 1 calc R . . . .
C86 C 0.6444(3) 0.1153(2) 0.4817(2) 0.0465(7) Uani 1 1 d . U . . .
H86 H 0.7023 0.1165 0.5152 0.056 Uiso 1 1 calc R . . . .
C87 C 0.5717(3) 0.04069(19) 0.4203(2) 0.0480(7) Uani 1 1 d . U . . .
C88 C 0.4880(3) 0.04190(19) 0.3701(2) 0.0551(9) Uani 1 1 d . U . . .
H88 H 0.4387 -0.0075 0.3273 0.066 Uiso 1 1 calc R . . . .
C89 C 0.4748(2) 0.11462(16) 0.38143(18) 0.0430(7) Uani 1 1 d . U . . .
H89 H 0.4178 0.1135 0.3465 0.052 Uiso 1 1 calc R . . . .
C90 C 0.5828(4) -0.0412(2) 0.4068(3) 0.0785(7) Uani 1 1 d D U . . .
C91 C 0.6760(4) -0.0301(3) 0.4744(3) 0.0785(7) Uani 1 1 d D U . . .
H91A H 0.7282 0.0086 0.4769 0.094 Uiso 1 1 calc R . . . .
H91B H 0.6775 -0.0097 0.5263 0.094 Uiso 1 1 calc R . . . .
H91C H 0.6810 -0.0822 0.4625 0.094 Uiso 1 1 calc R . . . .
C92 C 0.5830(4) -0.0762(3) 0.3263(3) 0.0785(7) Uani 1 1 d D U . . .
H92A H 0.6351 -0.0380 0.3284 0.094 Uiso 1 1 calc R . . . .
H92B H 0.5894 -0.1275 0.3175 0.094 Uiso 1 1 calc R . . . .
H92C H 0.5245 -0.0854 0.2821 0.094 Uiso 1 1 calc R . . . .
C93 C 0.5005(4) -0.1020(2) 0.4026(3) 0.0785(7) Uani 1 1 d D U . . .
H93A H 0.4998 -0.0803 0.4534 0.094 Uiso 1 1 calc R . . . .
H93B H 0.4422 -0.1111 0.3582 0.094 Uiso 1 1 calc R . . . .
H93C H 0.5072 -0.1532 0.3937 0.094 Uiso 1 1 calc R . . . .
C94 C 0.2949(4) 0.8057(3) 0.6666(3) 0.0867(14) Uani 1 1 d D U . . .
H94A H 0.2644 0.7529 0.6629 0.104 Uiso 1 1 calc GR . . . .
H94B H 0.3548 0.8112 0.6691 0.104 Uiso 1 1 calc GR . . . .
H94C H 0.2554 0.8104 0.6192 0.104 Uiso 1 1 calc GR . . . .
C95 C 0.3106(4) 0.8709(3) 0.7409(3) 0.0809(13) Uani 1 1 d D U . . .
C96 C 0.7509(6) 0.2659(4) 0.7187(5) 0.126(2) Uani 1 1 d D U . . .
H96A H 0.8036 0.3150 0.7642 0.152 Uiso 1 1 calc GR . . . .
H96B H 0.7060 0.2461 0.7351 0.152 Uiso 1 1 calc GR . . . .
H96C H 0.7209 0.2782 0.6739 0.152 Uiso 1 1 calc GR . . . .
C97 C 0.7839(6) 0.2038(4) 0.6931(5) 0.122(2) Uani 1 1 d D U . . .
C02Q C 0.1612(3) 0.0137(2) 0.7441(2) 0.0708(6) Uani 1 1 d . U . . .
H02A H 0.1631 0.0604 0.7839 0.085 Uiso 1 1 calc R . . . .
H02B H 0.1186 -0.0361 0.7375 0.085 Uiso 1 1 calc R . . . .
H02C H 0.2236 0.0144 0.7625 0.085 Uiso 1 1 calc R . . . .
N1 N 0.8148(6) 0.1565(5) 0.6746(6) 0.185(4) Uani 1 1 d D U . . .
N2 N 0.3201(4) 0.9187(4) 0.7978(4) 0.127(2) Uani 1 1 d . U . . .
O1 O 0.35017(13) 0.57280(12) 0.77609(10) 0.0297(4) Uani 1 1 d . . . . .
O2 O 0.27821(11) 0.51378(10) 0.63932(9) 0.0222(3) Uani 1 1 d . . . . .
O3 O 0.42749(11) 0.64637(9) 0.68375(9) 0.0224(3) Uani 1 1 d . . . . .
O4 O 0.57334(11) 0.67095(9) 0.70257(9) 0.0203(3) Uani 1 1 d . . . . .
O5 O 0.39154(12) 0.38857(10) 0.74748(10) 0.0270(3) Uani 1 1 d . . . . .
O6 O 0.30975(11) 0.33184(9) 0.61033(9) 0.0215(3) Uani 1 1 d . . . . .
O7 O 0.48095(11) 0.34427(9) 0.63769(9) 0.0205(3) Uani 1 1 d . . . . .
O8 O 0.61795(11) 0.43703(9) 0.66850(9) 0.0203(3) Uani 1 1 d . . . . .
O9 O 0.44038(10) 0.48587(8) 0.64396(8) 0.0160(3) Uani 1 1 d . . . . .
O10 O 0.29672(10) 0.41527(9) 0.50979(8) 0.0173(3) Uani 1 1 d . . . . .
O11 O 0.61462(10) 0.55539(8) 0.61324(8) 0.0164(3) Uani 1 1 d . . . . .
O12 O 0.43467(10) 0.56484(8) 0.54254(8) 0.0158(3) Uani 1 1 d . . . . .
O13 O 0.46358(10) 0.39762(8) 0.51647(8) 0.0155(3) Uani 1 1 d . . . . .
O14 O 0.69768(11) 0.70987(9) 0.63504(9) 0.0214(3) Uani 1 1 d . . . . .
O15 O 0.69443(11) 0.74336(9) 0.53471(9) 0.0219(3) Uani 1 1 d . . . . .
O16 O 0.73421(10) 0.47852(9) 0.59812(9) 0.0204(3) Uani 1 1 d . . . . .
O17 O 0.73955(11) 0.43873(10) 0.48135(10) 0.0236(3) Uani 1 1 d . . . . .
O18 O 0.59570(11) 0.32963(9) 0.52774(9) 0.0210(3) Uani 1 1 d . . . . .
O19 O 0.46402(11) 0.26718(9) 0.40472(9) 0.0209(3) Uani 1 1 d . . . . .
P006 P 0.61951(4) 0.61273(3) 0.90260(3) 0.02078(11) Uani 1 1 d . . . . .
Ti1 Ti 0.35514(3) 0.52205(2) 0.58665(2) 0.01574(7) Uani 1 1 d . . . . .
Ti2 Ti 0.37988(2) 0.37806(2) 0.56429(2) 0.01519(7) Uani 1 1 d . . . . .
Ti3 Ti 0.59908(2) 0.45001(2) 0.56785(2) 0.01438(7) Uani 1 1 d . . . . .
Ti4 Ti 0.56917(2) 0.63006(2) 0.59610(2) 0.01484(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O1 2.4030(17) . ?
Ag1 O5 2.3650(16) . ?
Ag1 O9 2.3298(14) . ?
Ag1 P006 2.3604(6) . ?
C1 C2 1.491(3) . ?
C1 O5 1.229(3) . ?
C1 O6 1.296(3) . ?
C2 C3 1.390(3) . ?
C2 C7 1.389(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.386(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.386(4) . ?
C5 C6 1.395(4) . ?
C5 C8 1.532(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.382(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.505(6) . ?
C8 C10 1.573(7) . ?
C8 C02Q 1.517(6) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.494(3) . ?
C11 O1 1.227(3) . ?
C11 O2 1.299(3) . ?
C12 C13 1.388(3) . ?
C12 C17 1.385(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.387(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.395(4) . ?
C15 C16 1.390(4) . ?
C15 C18 1.534(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.388(3) . ?
C017 H017 0.9300 . ?
C017 C75 1.392(3) . ?
C017 C76 1.392(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.526(6) . ?
C18 C20 1.505(6) . ?
C18 C21 1.565(6) . ?
C18 C19A 1.651(13) . ?
C18 C20A 1.504(13) . ?
C18 C21A 1.405(12) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C19A H19D 0.9600 . ?
C19A H19E 0.9600 . ?
C19A H19F 0.9600 . ?
C20A H20D 0.9600 . ?
C20A H20E 0.9600 . ?
C20A H20F 0.9600 . ?
C21A H21D 0.9600 . ?
C21A H21E 0.9600 . ?
C21A H21F 0.9600 . ?
C22 C23 1.489(3) . ?
C22 O7 1.256(3) . ?
C22 O8 1.272(3) . ?
C23 C24 1.390(3) . ?
C23 C28 1.388(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.390(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.389(4) . ?
C26 C27 1.396(4) . ?
C26 C29 1.535(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.388(3) . ?
C28 H28 0.9300 . ?
C29 C30 1.542(5) . ?
C29 C31 1.517(5) . ?
C29 C32 1.527(6) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.482(3) . ?
C33 O3 1.250(3) . ?
C33 O4 1.283(3) . ?
C34 C35 1.389(3) . ?
C34 C39 1.385(3) . ?
C35 H35 0.9300 . ?
C35 C36 1.390(3) . ?
C36 H36 0.9300 . ?
C36 C37 1.384(4) . ?
C37 C38 1.396(4) . ?
C37 C40 1.535(4) . ?
C38 H38 0.9300 . ?
C38 C39 1.380(3) . ?
C39 H39 0.9300 . ?
C40 C41 1.506(6) . ?
C40 C42 1.553(7) . ?
C40 C43 1.499(7) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 C45 1.393(4) . ?
C44 C49 1.377(4) . ?
C44 P006 1.823(2) . ?
C45 H45 0.9300 . ?
C45 C46 1.385(4) . ?
C46 H46 0.9300 . ?
C46 C47 1.382(5) . ?
C47 H47 0.9300 . ?
C47 C48 1.364(6) . ?
C48 H48 0.9300 . ?
C48 C49 1.391(4) . ?
C49 H49 0.9300 . ?
C50 C51 1.386(3) . ?
C50 C55 1.401(3) . ?
C50 P006 1.816(2) . ?
C51 H51 0.9300 . ?
C51 C52 1.383(3) . ?
C52 H52 0.9300 . ?
C52 C53 1.390(4) . ?
C53 H53 0.9300 . ?
C53 C54 1.375(4) . ?
C54 H54 0.9300 . ?
C54 C55 1.383(4) . ?
C55 H55 0.9300 . ?
C56 C57 1.399(3) . ?
C56 C61 1.392(3) . ?
C56 P006 1.818(2) . ?
C57 H57 0.9300 . ?
C57 C58 1.384(4) . ?
C58 H58 0.9300 . ?
C58 C59 1.388(4) . ?
C59 H59 0.9300 . ?
C59 C60 1.380(4) . ?
C60 H60 0.9300 . ?
C60 C61 1.392(4) . ?
C61 H61 0.9300 . ?
C62 C63 1.485(3) . ?
C62 O16 1.275(3) . ?
C62 O17 1.250(3) . ?
C63 C64 1.379(3) . ?
C63 C68 1.387(3) . ?
C64 H64 0.9300 . ?
C64 C65 1.395(3) . ?
C65 H65 0.9300 . ?
C65 C66 1.382(4) . ?
C66 C67 1.383(4) . ?
C66 C69 1.537(4) . ?
C67 H67 0.9300 . ?
C67 C68 1.377(3) . ?
C68 H68 0.9300 . ?
C69 C70 1.542(5) . ?
C69 C71 1.519(5) . ?
C69 C72 1.535(5) . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C73 C75 1.487(3) . ?
C73 O14 1.277(3) . ?
C73 O15 1.250(3) . ?
C74 H74 0.9300 . ?
C74 C75 1.387(4) . ?
C74 C78 1.386(4) . ?
C76 H76 0.9300 . ?
C76 C77 1.382(5) . ?
C77 C78 1.394(5) . ?
C77 C79 1.539(4) . ?
C78 H78 0.9300 . ?
C79 C80 1.518(6) . ?
C79 C81 1.504(7) . ?
C79 C82 1.514(6) . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C83 C84 1.492(3) . ?
C83 O18 1.264(3) . ?
C83 O19 1.264(3) . ?
C84 C85 1.381(4) . ?
C84 C89 1.392(4) . ?
C85 H85 0.9300 . ?
C85 C86 1.394(4) . ?
C86 H86 0.9300 . ?
C86 C87 1.380(5) . ?
C87 C88 1.383(5) . ?
C87 C90 1.539(4) . ?
C88 H88 0.9300 . ?
C88 C89 1.392(4) . ?
C89 H89 0.9300 . ?
C90 C91 1.529(6) . ?
C90 C92 1.516(5) . ?
C90 C93 1.509(6) . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
C92 H92A 0.9600 . ?
C92 H92B 0.9600 . ?
C92 H92C 0.9600 . ?
C93 H93A 0.9600 . ?
C93 H93B 0.9600 . ?
C93 H93C 0.9600 . ?
C94 H94A 0.9600 . ?
C94 H94B 0.9600 . ?
C94 H94C 0.9600 . ?
C94 C95 1.464(6) . ?
C95 N2 1.121(6) . ?
C96 H96A 0.9600 . ?
C96 H96B 0.9600 . ?
C96 H96C 0.9600 . ?
C96 C97 1.439(7) . ?
C97 N1 1.159(7) . ?
C02Q H02A 0.9600 . ?
C02Q H02B 0.9600 . ?
C02Q H02C 0.9600 . ?
O2 Ti1 1.9370(15) . ?
O3 Ti1 2.1582(15) . ?
O4 Ti4 1.9608(15) . ?
O6 Ti2 1.9285(15) . ?
O7 Ti2 2.1340(15) . ?
O8 Ti3 1.9799(15) . ?
O9 Ti1 1.8620(14) . ?
O9 Ti2 1.8442(14) . ?
O10 Ti1 1.8155(14) . ?
O10 Ti2 1.8313(15) . ?
O11 Ti3 1.7983(14) . ?
O11 Ti4 1.8006(14) . ?
O12 Ti1 1.9821(14) . ?
O12 Ti3 1.9290(14) 2_666 ?
O12 Ti4 1.9296(14) . ?
O13 Ti2 1.9810(14) . ?
O13 Ti3 1.9180(14) . ?
O13 Ti4 1.9227(14) 2_666 ?
O14 Ti4 1.9766(15) . ?
O15 Ti2 2.1350(15) 2_666 ?
O16 Ti3 1.9828(15) . ?
O17 Ti1 2.0930(15) 2_666 ?
O18 Ti3 2.1200(15) . ?
O19 Ti4 2.1256(15) 2_666 ?
Ti1 O17 2.0930(15) 2_666 ?
Ti2 O15 2.1349(15) 2_666 ?
Ti3 O12 1.9290(14) 2_666 ?
Ti3 Ti4 2.9388(5) 2_666 ?
Ti4 O13 1.9226(14) 2_666 ?
Ti4 O19 2.1256(15) 2_666 ?
Ti4 Ti3 2.9388(5) 2_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 Ag1 O1 97.71(6) . . ?
O9 Ag1 O1 100.34(5) . . ?
O9 Ag1 O5 89.29(5) . . ?
O9 Ag1 P006 129.57(4) . . ?
P006 Ag1 O1 112.63(5) . . ?
P006 Ag1 O5 120.98(4) . . ?
O5 C1 C2 120.08(19) . . ?
O5 C1 O6 124.6(2) . . ?
O6 C1 C2 115.33(19) . . ?
C3 C2 C1 120.5(2) . . ?
C7 C2 C1 120.5(2) . . ?
C7 C2 C3 118.9(2) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.7(2) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.1(2) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 C6 117.4(2) . . ?
C4 C5 C8 122.8(3) . . ?
C6 C5 C8 119.7(3) . . ?
C5 C6 H6 118.9 . . ?
C7 C6 C5 122.1(2) . . ?
C7 C6 H6 118.9 . . ?
C2 C7 H7 120.2 . . ?
C6 C7 C2 119.7(2) . . ?
C6 C7 H7 120.2 . . ?
C5 C8 C10 106.8(3) . . ?
C9 C8 C5 110.8(3) . . ?
C9 C8 C10 110.2(4) . . ?
C9 C8 C02Q 109.2(4) . . ?
C02Q C8 C5 112.8(3) . . ?
C02Q C8 C10 107.0(4) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O1 C11 C12 120.5(2) . . ?
O1 C11 O2 123.8(2) . . ?
O2 C11 C12 115.78(19) . . ?
C13 C12 C11 121.4(2) . . ?
C17 C12 C11 119.9(2) . . ?
C17 C12 C13 118.6(2) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.2(2) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 119.1 . . ?
C13 C14 C15 121.9(2) . . ?
C15 C14 H14 119.1 . . ?
C14 C15 C18 120.5(3) . . ?
C16 C15 C14 117.0(2) . . ?
C16 C15 C18 122.5(3) . . ?
C15 C16 H16 119.2 . . ?
C15 C16 C17 121.5(2) . . ?
C17 C16 H16 119.2 . . ?
C75 C017 H017 120.0 . . ?
C76 C017 H017 120.0 . . ?
C76 C017 C75 119.9(3) . . ?
C12 C17 C16 120.7(2) . . ?
C12 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C15 C18 C21 112.1(3) . . ?
C15 C18 C19A 109.6(4) . . ?
C19 C18 C15 110.1(3) . . ?
C19 C18 C21 105.5(3) . . ?
C20 C18 C15 110.5(3) . . ?
C20 C18 C19 110.1(4) . . ?
C20 C18 C21 108.5(3) . . ?
C20A C18 C15 107.3(5) . . ?
C20A C18 C19A 99.9(7) . . ?
C21A C18 C15 111.7(5) . . ?
C21A C18 C19A 111.0(7) . . ?
C21A C18 C20A 116.7(7) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C19A H19D 109.5 . . ?
C18 C19A H19E 109.5 . . ?
C18 C19A H19F 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
C18 C20A H20D 109.5 . . ?
C18 C20A H20E 109.5 . . ?
C18 C20A H20F 109.5 . . ?
H20D C20A H20E 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
C18 C21A H21D 109.5 . . ?
C18 C21A H21E 109.5 . . ?
C18 C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
O7 C22 C23 119.90(19) . . ?
O7 C22 O8 123.79(18) . . ?
O8 C22 C23 116.30(18) . . ?
C24 C23 C22 121.1(2) . . ?
C28 C23 C22 119.8(2) . . ?
C28 C23 C24 119.1(2) . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.1(2) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 119.2 . . ?
C24 C25 C26 121.6(2) . . ?
C26 C25 H25 119.2 . . ?
C25 C26 C27 117.5(2) . . ?
C25 C26 C29 123.2(3) . . ?
C27 C26 C29 119.3(3) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 C26 121.4(2) . . ?
C28 C27 H27 119.3 . . ?
C23 C28 H28 119.9 . . ?
C27 C28 C23 120.2(2) . . ?
C27 C28 H28 119.9 . . ?
C26 C29 C30 109.8(3) . . ?
C31 C29 C26 108.1(3) . . ?
C31 C29 C30 112.7(3) . . ?
C31 C29 C32 108.2(3) . . ?
C32 C29 C26 112.5(3) . . ?
C32 C29 C30 105.6(3) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O3 C33 C34 120.54(19) . . ?
O3 C33 O4 122.78(19) . . ?
O4 C33 C34 116.67(19) . . ?
C35 C34 C33 121.3(2) . . ?
C39 C34 C33 119.2(2) . . ?
C39 C34 C35 119.3(2) . . ?
C34 C35 H35 120.1 . . ?
C34 C35 C36 119.9(2) . . ?
C36 C35 H35 120.1 . . ?
C35 C36 H36 119.4 . . ?
C37 C36 C35 121.2(2) . . ?
C37 C36 H36 119.4 . . ?
C36 C37 C38 118.1(2) . . ?
C36 C37 C40 122.1(3) . . ?
C38 C37 C40 119.7(3) . . ?
C37 C38 H38 119.5 . . ?
C39 C38 C37 121.1(2) . . ?
C39 C38 H38 119.5 . . ?
C34 C39 H39 119.9 . . ?
C38 C39 C34 120.3(2) . . ?
C38 C39 H39 119.9 . . ?
C37 C40 C42 105.8(3) . . ?
C41 C40 C37 113.3(3) . . ?
C41 C40 C42 109.8(4) . . ?
C41 C40 C43 109.4(4) . . ?
C43 C40 C37 111.4(4) . . ?
C43 C40 C42 106.9(4) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 P006 116.8(2) . . ?
C49 C44 C45 119.0(2) . . ?
C49 C44 P006 124.1(2) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 C44 120.3(3) . . ?
C46 C45 H45 119.8 . . ?
C45 C46 H46 120.0 . . ?
C47 C46 C45 120.0(3) . . ?
C47 C46 H46 120.0 . . ?
C46 C47 H47 120.2 . . ?
C48 C47 C46 119.6(3) . . ?
C48 C47 H47 120.2 . . ?
C47 C48 H48 119.6 . . ?
C47 C48 C49 120.9(3) . . ?
C49 C48 H48 119.6 . . ?
C44 C49 C48 120.1(3) . . ?
C44 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C51 C50 C55 119.5(2) . . ?
C51 C50 P006 117.48(16) . . ?
C55 C50 P006 122.99(19) . . ?
C50 C51 H51 119.8 . . ?
C52 C51 C50 120.4(2) . . ?
C52 C51 H51 119.8 . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 120.0(3) . . ?
C53 C52 H52 120.0 . . ?
C52 C53 H53 120.1 . . ?
C54 C53 C52 119.8(2) . . ?
C54 C53 H53 120.1 . . ?
C53 C54 H54 119.6 . . ?
C53 C54 C55 120.8(2) . . ?
C55 C54 H54 119.6 . . ?
C50 C55 H55 120.2 . . ?
C54 C55 C50 119.6(2) . . ?
C54 C55 H55 120.2 . . ?
C57 C56 P006 122.90(19) . . ?
C61 C56 C57 119.4(2) . . ?
C61 C56 P006 117.61(18) . . ?
C56 C57 H57 120.1 . . ?
C58 C57 C56 119.7(2) . . ?
C58 C57 H57 120.1 . . ?
C57 C58 H58 119.8 . . ?
C59 C58 C57 120.5(3) . . ?
C59 C58 H58 119.8 . . ?
C58 C59 H59 119.9 . . ?
C60 C59 C58 120.2(3) . . ?
C60 C59 H59 119.9 . . ?
C59 C60 H60 120.1 . . ?
C59 C60 C61 119.8(3) . . ?
C61 C60 H60 120.1 . . ?
C56 C61 H61 119.8 . . ?
C60 C61 C56 120.4(2) . . ?
C60 C61 H61 119.8 . . ?
O16 C62 C63 117.94(19) . . ?
O17 C62 C63 118.28(19) . . ?
O17 C62 O16 123.78(19) . . ?
C64 C63 C62 121.1(2) . . ?
C64 C63 C68 119.4(2) . . ?
C68 C63 C62 119.4(2) . . ?
C63 C64 H64 120.3 . . ?
C63 C64 C65 119.5(2) . . ?
C65 C64 H64 120.3 . . ?
C64 C65 H65 119.3 . . ?
C66 C65 C64 121.5(2) . . ?
C66 C65 H65 119.3 . . ?
C65 C66 C69 123.5(3) . . ?
C67 C66 C65 118.0(2) . . ?
C67 C66 C69 118.5(3) . . ?
C66 C67 H67 119.3 . . ?
C68 C67 C66 121.3(2) . . ?
C68 C67 H67 119.3 . . ?
C63 C68 H68 119.9 . . ?
C67 C68 C63 120.3(2) . . ?
C67 C68 H68 119.9 . . ?
C66 C69 C70 108.2(3) . . ?
C71 C69 C66 109.9(3) . . ?
C71 C69 C70 109.5(3) . . ?
C71 C69 C72 108.6(3) . . ?
C72 C69 C66 111.8(3) . . ?
C72 C69 C70 108.9(3) . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C69 C72 H72A 109.5 . . ?
C69 C72 H72B 109.5 . . ?
C69 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
O14 C73 C75 115.73(19) . . ?
O15 C73 C75 120.6(2) . . ?
O15 C73 O14 123.68(19) . . ?
C75 C74 H74 120.1 . . ?
C78 C74 H74 120.1 . . ?
C78 C74 C75 119.9(3) . . ?
C017 C75 C73 119.4(2) . . ?
C74 C75 C017 119.3(2) . . ?
C74 C75 C73 121.1(2) . . ?
C017 C76 H76 119.3 . . ?
C77 C76 C017 121.4(3) . . ?
C77 C76 H76 119.3 . . ?
C76 C77 C78 117.8(2) . . ?
C76 C77 C79 122.0(3) . . ?
C78 C77 C79 120.1(3) . . ?
C74 C78 C77 121.6(3) . . ?
C74 C78 H78 119.2 . . ?
C77 C78 H78 119.2 . . ?
C80 C79 C77 110.2(3) . . ?
C81 C79 C77 113.0(4) . . ?
C81 C79 C80 108.5(4) . . ?
C81 C79 C82 106.4(4) . . ?
C82 C79 C77 108.4(3) . . ?
C82 C79 C80 110.2(4) . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C79 C81 H81A 109.5 . . ?
C79 C81 H81B 109.5 . . ?
C79 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C79 C82 H82A 109.5 . . ?
C79 C82 H82B 109.5 . . ?
C79 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
O18 C83 C84 117.09(19) . . ?
O18 C83 O19 124.95(19) . . ?
O19 C83 C84 117.96(19) . . ?
C85 C84 C83 120.6(2) . . ?
C85 C84 C89 118.9(2) . . ?
C89 C84 C83 120.5(2) . . ?
C84 C85 H85 119.7 . . ?
C84 C85 C86 120.6(3) . . ?
C86 C85 H85 119.7 . . ?
C85 C86 H86 119.3 . . ?
C87 C86 C85 121.3(3) . . ?
C87 C86 H86 119.3 . . ?
C86 C87 C88 117.5(3) . . ?
C86 C87 C90 121.9(3) . . ?
C88 C87 C90 120.6(3) . . ?
C87 C88 H88 118.9 . . ?
C87 C88 C89 122.2(3) . . ?
C89 C88 H88 118.9 . . ?
C84 C89 C88 119.4(3) . . ?
C84 C89 H89 120.3 . . ?
C88 C89 H89 120.3 . . ?
C91 C90 C87 112.3(3) . . ?
C92 C90 C87 109.2(3) . . ?
C92 C90 C91 107.1(4) . . ?
C93 C90 C87 109.6(3) . . ?
C93 C90 C91 109.7(4) . . ?
C93 C90 C92 108.9(4) . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C90 C92 H92A 109.5 . . ?
C90 C92 H92B 109.5 . . ?
C90 C92 H92C 109.5 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C90 C93 H93A 109.5 . . ?
C90 C93 H93B 109.5 . . ?
C90 C93 H93C 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C95 C94 H94A 109.5 . . ?
C95 C94 H94B 109.5 . . ?
C95 C94 H94C 109.5 . . ?
N2 C95 C94 177.5(7) . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C97 C96 H96A 109.5 . . ?
C97 C96 H96B 109.5 . . ?
C97 C96 H96C 109.5 . . ?
N1 C97 C96 176.8(9) . . ?
C8 C02Q H02A 109.5 . . ?
C8 C02Q H02B 109.5 . . ?
C8 C02Q H02C 109.5 . . ?
H02A C02Q H02B 109.5 . . ?
H02A C02Q H02C 109.5 . . ?
H02B C02Q H02C 109.5 . . ?
C11 O1 Ag1 118.52(14) . . ?
C11 O2 Ti1 134.48(15) . . ?
C33 O3 Ti1 127.83(13) . . ?
C33 O4 Ti4 127.72(14) . . ?
C1 O5 Ag1 129.88(14) . . ?
C1 O6 Ti2 133.40(14) . . ?
C22 O7 Ti2 127.41(13) . . ?
C22 O8 Ti3 133.37(14) . . ?
Ti1 O9 Ag1 113.17(6) . . ?
Ti2 O9 Ag1 125.00(7) . . ?
Ti2 O9 Ti1 95.65(6) . . ?
Ti1 O10 Ti2 97.73(7) . . ?
Ti3 O11 Ti4 144.42(9) . . ?
Ti3 O12 Ti1 130.22(8) 2_666 . ?
Ti3 O12 Ti4 99.22(6) 2_666 . ?
Ti4 O12 Ti1 130.53(7) . . ?
Ti3 O13 Ti2 130.67(7) . . ?
Ti3 O13 Ti4 99.84(6) . 2_666 ?
Ti4 O13 Ti2 129.48(7) 2_666 . ?
C73 O14 Ti4 129.01(14) . . ?
C73 O15 Ti2 126.18(14) . 2_666 ?
C62 O16 Ti3 126.55(14) . . ?
C62 O17 Ti1 130.19(14) . 2_666 ?
C83 O18 Ti3 126.90(13) . . ?
C83 O19 Ti4 126.94(13) . 2_666 ?
C44 P006 Ag1 114.40(8) . . ?
C50 P006 Ag1 108.29(8) . . ?
C50 P006 C44 103.25(11) . . ?
C50 P006 C56 105.79(11) . . ?
C56 P006 Ag1 118.06(8) . . ?
C56 P006 C44 105.75(11) . . ?
O2 Ti1 O3 81.12(6) . . ?
O2 Ti1 O12 162.43(6) . . ?
O2 Ti1 O17 84.58(6) . 2_666 ?
O9 Ti1 O2 97.36(7) . . ?
O9 Ti1 O3 93.69(6) . . ?
O9 Ti1 O12 93.66(6) . . ?
O9 Ti1 O17 177.87(6) . 2_666 ?
O10 Ti1 O2 97.43(7) . . ?
O10 Ti1 O3 176.46(6) . . ?
O10 Ti1 O9 83.27(6) . . ?
O10 Ti1 O12 97.41(6) . . ?
O10 Ti1 O17 95.62(7) . 2_666 ?
O12 Ti1 O3 84.57(6) . . ?
O12 Ti1 O17 84.67(6) . 2_666 ?
O17 Ti1 O3 87.47(6) 2_666 . ?
O6 Ti2 O7 80.75(6) . . ?
O6 Ti2 O13 162.63(6) . . ?
O6 Ti2 O15 84.16(6) . 2_666 ?
O7 Ti2 O15 92.22(6) . 2_666 ?
O9 Ti2 O6 98.29(6) . . ?
O9 Ti2 O7 91.78(6) . . ?
O9 Ti2 O13 92.59(6) . . ?
O9 Ti2 O15 175.61(6) . 2_666 ?
O10 Ti2 O6 98.27(7) . . ?
O10 Ti2 O7 174.84(6) . . ?
O10 Ti2 O9 83.34(6) . . ?
O10 Ti2 O13 96.40(6) . . ?
O10 Ti2 O15 92.72(6) . 2_666 ?
O13 Ti2 O7 85.44(6) . . ?
O13 Ti2 O15 85.91(6) . 2_666 ?
O8 Ti3 O16 92.79(6) . . ?
O8 Ti3 O18 82.11(6) . . ?
O8 Ti3 Ti4 130.51(5) . 2_666 ?
O11 Ti3 O8 93.11(6) . . ?
O11 Ti3 O12 99.15(6) . 2_666 ?
O11 Ti3 O13 98.74(6) . . ?
O11 Ti3 O16 94.48(6) . . ?
O11 Ti3 O18 173.03(6) . . ?
O11 Ti3 Ti4 106.31(5) . 2_666 ?
O12 Ti3 O8 166.67(6) 2_666 . ?
O12 Ti3 O16 91.44(6) 2_666 . ?
O12 Ti3 O18 86.11(6) 2_666 . ?
O12 Ti3 Ti4 40.40(4) 2_666 2_666 ?
O13 Ti3 O8 92.95(6) . . ?
O13 Ti3 O12 80.10(6) . 2_666 ?
O13 Ti3 O16 165.27(6) . . ?
O13 Ti3 O18 86.63(6) . . ?
O13 Ti3 Ti4 40.14(4) . 2_666 ?
O16 Ti3 O18 80.74(6) . . ?
O16 Ti3 Ti4 129.12(5) . 2_666 ?
O18 Ti3 Ti4 80.67(4) . 2_666 ?
O4 Ti4 O14 95.81(7) . . ?
O4 Ti4 O19 80.61(6) . 2_666 ?
O4 Ti4 Ti3 127.36(5) . 2_666 ?
O11 Ti4 O4 93.63(6) . . ?
O11 Ti4 O12 100.51(6) . . ?
O11 Ti4 O13 101.87(6) . 2_666 ?
O11 Ti4 O14 90.93(7) . . ?
O11 Ti4 O19 170.32(6) . 2_666 ?
O11 Ti4 Ti3 109.25(5) . 2_666 ?
O12 Ti4 O4 90.19(6) . . ?
O12 Ti4 O14 166.73(6) . . ?
O12 Ti4 O19 87.36(6) . 2_666 ?
O12 Ti4 Ti3 40.38(4) . 2_666 ?
O13 Ti4 O4 162.89(6) 2_666 . ?
O13 Ti4 O12 79.97(6) 2_666 . ?
O13 Ti4 O14 91.19(6) 2_666 . ?
O13 Ti4 O19 84.95(6) 2_666 2_666 ?
O13 Ti4 Ti3 40.02(4) 2_666 2_666 ?
O14 Ti4 O19 81.99(6) . 2_666 ?
O14 Ti4 Ti3 129.09(5) . 2_666 ?
O19 Ti4 Ti3 80.40(4) 2_666 2_666 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C51 H51 O5 0.93 2.57 3.401(3) 149.6 .
C61 H61 O4 0.93 2.38 3.234(3) 152.7 .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 O9 Ti1 O2 -34.90(8) . . . . ?
Ag1 O9 Ti1 O3 46.61(7) . . . . ?
Ag1 O9 Ti1 O10 -131.57(7) . . . . ?
Ag1 O9 Ti1 O12 131.39(7) . . . . ?
Ag1 O9 Ti2 O6 25.64(9) . . . . ?
Ag1 O9 Ti2 O7 -55.27(9) . . . . ?
Ag1 O9 Ti2 O10 123.06(9) . . . . ?
Ag1 O9 Ti2 O13 -140.79(8) . . . . ?
C1 C2 C3 C4 175.8(2) . . . . ?
C1 C2 C7 C6 -175.8(2) . . . . ?
C2 C1 O5 Ag1 -175.97(14) . . . . ?
C2 C1 O6 Ti2 -135.50(17) . . . . ?
C2 C3 C4 C5 -0.4(4) . . . . ?
C3 C2 C7 C6 2.1(4) . . . . ?
C3 C4 C5 C6 2.7(4) . . . . ?
C3 C4 C5 C8 -175.4(3) . . . . ?
C4 C5 C6 C7 -2.7(5) . . . . ?
C4 C5 C8 C9 -129.8(4) . . . . ?
C4 C5 C8 C10 110.2(4) . . . . ?
C4 C5 C8 C02Q -7.1(6) . . . . ?
C5 C6 C7 C2 0.4(5) . . . . ?
C6 C5 C8 C9 52.1(5) . . . . ?
C6 C5 C8 C10 -67.9(4) . . . . ?
C6 C5 C8 C02Q 174.8(4) . . . . ?
C7 C2 C3 C4 -2.1(4) . . . . ?
C8 C5 C6 C7 175.4(3) . . . . ?
C11 C12 C13 C14 -178.4(2) . . . . ?
C11 C12 C17 C16 176.9(2) . . . . ?
C12 C11 O1 Ag1 -172.04(15) . . . . ?
C12 C11 O2 Ti1 115.9(2) . . . . ?
C12 C13 C14 C15 1.6(4) . . . . ?
C13 C12 C17 C16 -1.1(4) . . . . ?
C13 C14 C15 C16 -1.2(4) . . . . ?
C13 C14 C15 C18 178.6(3) . . . . ?
C14 C15 C16 C17 -0.4(4) . . . . ?
C14 C15 C18 C19 -59.0(4) . . . . ?
C14 C15 C18 C20 62.8(4) . . . . ?
C14 C15 C18 C21 -176.1(3) . . . . ?
C14 C15 C18 C19A -5.8(6) . . . . ?
C14 C15 C18 C20A 101.8(6) . . . . ?
C14 C15 C18 C21A -129.1(7) . . . . ?
C15 C16 C17 C12 1.5(4) . . . . ?
C16 C15 C18 C19 120.8(4) . . . . ?
C16 C15 C18 C20 -117.4(4) . . . . ?
C16 C15 C18 C21 3.7(4) . . . . ?
C16 C15 C18 C19A 174.0(5) . . . . ?
C16 C15 C18 C20A -78.4(7) . . . . ?
C16 C15 C18 C21A 50.6(7) . . . . ?
C017 C76 C77 C78 -2.0(5) . . . . ?
C017 C76 C77 C79 175.4(3) . . . . ?
C17 C12 C13 C14 -0.5(4) . . . . ?
C18 C15 C16 C17 179.9(3) . . . . ?
C22 C23 C24 C25 -178.7(2) . . . . ?
C22 C23 C28 C27 178.3(2) . . . . ?
C23 C22 O7 Ti2 148.67(15) . . . . ?
C23 C22 O8 Ti3 158.83(14) . . . . ?
C23 C24 C25 C26 0.8(4) . . . . ?
C24 C23 C28 C27 -0.5(4) . . . . ?
C24 C25 C26 C27 -1.2(4) . . . . ?
C24 C25 C26 C29 -179.6(3) . . . . ?
C25 C26 C27 C28 0.8(4) . . . . ?
C25 C26 C29 C30 -134.8(3) . . . . ?
C25 C26 C29 C31 101.9(4) . . . . ?
C25 C26 C29 C32 -17.5(4) . . . . ?
C26 C27 C28 C23 0.1(4) . . . . ?
C27 C26 C29 C30 46.9(4) . . . . ?
C27 C26 C29 C31 -76.4(4) . . . . ?
C27 C26 C29 C32 164.1(3) . . . . ?
C28 C23 C24 C25 0.1(3) . . . . ?
C29 C26 C27 C28 179.2(3) . . . . ?
C33 C34 C35 C36 -174.1(2) . . . . ?
C33 C34 C39 C38 173.3(3) . . . . ?
C34 C33 O3 Ti1 175.90(14) . . . . ?
C34 C33 O4 Ti4 -120.75(18) . . . . ?
C34 C35 C36 C37 0.7(4) . . . . ?
C35 C34 C39 C38 -3.1(4) . . . . ?
C35 C36 C37 C38 -2.8(5) . . . . ?
C35 C36 C37 C40 173.3(3) . . . . ?
C36 C37 C38 C39 2.0(5) . . . . ?
C36 C37 C40 C41 9.9(6) . . . . ?
C36 C37 C40 C42 -110.4(4) . . . . ?
C36 C37 C40 C43 133.8(4) . . . . ?
C37 C38 C39 C34 1.0(5) . . . . ?
C38 C37 C40 C41 -174.0(4) . . . . ?
C38 C37 C40 C42 65.6(5) . . . . ?
C38 C37 C40 C43 -50.2(5) . . . . ?
C39 C34 C35 C36 2.2(4) . . . . ?
C40 C37 C38 C39 -174.2(3) . . . . ?
C44 C45 C46 C47 2.0(5) . . . . ?
C45 C44 C49 C48 1.5(4) . . . . ?
C45 C44 P006 Ag1 47.5(2) . . . . ?
C45 C44 P006 C50 -70.0(2) . . . . ?
C45 C44 P006 C56 179.1(2) . . . . ?
C45 C46 C47 C48 0.2(5) . . . . ?
C46 C47 C48 C49 -1.5(6) . . . . ?
C47 C48 C49 C44 0.6(5) . . . . ?
C49 C44 C45 C46 -2.8(4) . . . . ?
C49 C44 P006 Ag1 -133.1(2) . . . . ?
C49 C44 P006 C50 109.4(2) . . . . ?
C49 C44 P006 C56 -1.5(3) . . . . ?
C50 C51 C52 C53 -0.1(4) . . . . ?
C51 C50 C55 C54 0.5(4) . . . . ?
C51 C50 P006 Ag1 26.9(2) . . . . ?
C51 C50 P006 C44 148.61(19) . . . . ?
C51 C50 P006 C56 -100.52(19) . . . . ?
C51 C52 C53 C54 0.6(4) . . . . ?
C52 C53 C54 C55 -0.6(4) . . . . ?
C53 C54 C55 C50 0.0(4) . . . . ?
C55 C50 C51 C52 -0.5(4) . . . . ?
C55 C50 P006 Ag1 -149.92(18) . . . . ?
C55 C50 P006 C44 -28.3(2) . . . . ?
C55 C50 P006 C56 82.6(2) . . . . ?
C56 C57 C58 C59 0.4(4) . . . . ?
C57 C56 C61 C60 -1.3(4) . . . . ?
C57 C56 P006 Ag1 -145.12(17) . . . . ?
C57 C56 P006 C44 85.3(2) . . . . ?
C57 C56 P006 C50 -23.8(2) . . . . ?
C57 C58 C59 C60 -0.6(5) . . . . ?
C58 C59 C60 C61 -0.1(5) . . . . ?
C59 C60 C61 C56 1.1(4) . . . . ?
C61 C56 C57 C58 0.6(4) . . . . ?
C61 C56 P006 Ag1 32.4(2) . . . . ?
C61 C56 P006 C44 -97.2(2) . . . . ?
C61 C56 P006 C50 153.73(19) . . . . ?
C62 C63 C64 C65 177.9(2) . . . . ?
C62 C63 C68 C67 -177.0(3) . . . . ?
C63 C62 O16 Ti3 -128.82(17) . . . . ?
C63 C62 O17 Ti1 -177.09(14) . . . 2_666 ?
C63 C64 C65 C66 -0.5(5) . . . . ?
C64 C63 C68 C67 2.0(4) . . . . ?
C64 C65 C66 C67 1.2(5) . . . . ?
C64 C65 C66 C69 179.5(3) . . . . ?
C65 C66 C67 C68 -0.4(5) . . . . ?
C65 C66 C69 C70 -112.8(4) . . . . ?
C65 C66 C69 C71 127.8(3) . . . . ?
C65 C66 C69 C72 7.1(5) . . . . ?
C66 C67 C68 C63 -1.3(5) . . . . ?
C67 C66 C69 C70 65.5(4) . . . . ?
C67 C66 C69 C71 -53.9(4) . . . . ?
C67 C66 C69 C72 -174.6(3) . . . . ?
C68 C63 C64 C65 -1.1(4) . . . . ?
C69 C66 C67 C68 -178.7(3) . . . . ?
C75 C017 C76 C77 2.1(4) . . . . ?
C75 C73 O14 Ti4 131.89(17) . . . . ?
C75 C73 O15 Ti2 168.68(15) . . . 2_666 ?
C75 C74 C78 C77 1.6(5) . . . . ?
C76 C017 C75 C73 -176.5(2) . . . . ?
C76 C017 C75 C74 -0.3(4) . . . . ?
C76 C77 C78 C74 0.1(5) . . . . ?
C76 C77 C79 C80 130.9(4) . . . . ?
C76 C77 C79 C81 9.3(5) . . . . ?
C76 C77 C79 C82 -108.4(4) . . . . ?
C78 C74 C75 C017 -1.5(4) . . . . ?
C78 C74 C75 C73 174.6(3) . . . . ?
C78 C77 C79 C80 -51.8(5) . . . . ?
C78 C77 C79 C81 -173.4(3) . . . . ?
C78 C77 C79 C82 68.9(5) . . . . ?
C79 C77 C78 C74 -177.3(3) . . . . ?
C83 C84 C85 C86 178.9(3) . . . . ?
C83 C84 C89 C88 -178.5(3) . . . . ?
C84 C83 O18 Ti3 179.52(14) . . . . ?
C84 C83 O19 Ti4 -175.82(14) . . . 2_666 ?
C84 C85 C86 C87 -0.6(5) . . . . ?
C85 C84 C89 C88 2.0(5) . . . . ?
C85 C86 C87 C88 2.3(5) . . . . ?
C85 C86 C87 C90 -178.4(3) . . . . ?
C86 C87 C88 C89 -1.9(5) . . . . ?
C86 C87 C90 C91 7.1(5) . . . . ?
C86 C87 C90 C92 -111.5(4) . . . . ?
C86 C87 C90 C93 129.3(4) . . . . ?
C87 C88 C89 C84 -0.3(6) . . . . ?
C88 C87 C90 C91 -173.6(4) . . . . ?
C88 C87 C90 C92 67.7(5) . . . . ?
C88 C87 C90 C93 -51.5(5) . . . . ?
C89 C84 C85 C86 -1.6(4) . . . . ?
C90 C87 C88 C89 178.8(3) . . . . ?
O1 C11 C12 C13 -165.6(2) . . . . ?
O1 C11 C12 C17 16.5(3) . . . . ?
O1 C11 O2 Ti1 -63.9(3) . . . . ?
O2 C11 C12 C13 14.6(3) . . . . ?
O2 C11 C12 C17 -163.3(2) . . . . ?
O2 C11 O1 Ag1 7.8(3) . . . . ?
O3 C33 C34 C35 15.9(3) . . . . ?
O3 C33 C34 C39 -160.4(2) . . . . ?
O3 C33 O4 Ti4 58.1(3) . . . . ?
O4 C33 C34 C35 -165.2(2) . . . . ?
O4 C33 C34 C39 18.4(3) . . . . ?
O4 C33 O3 Ti1 -2.9(3) . . . . ?
O5 C1 C2 C3 -1.7(3) . . . . ?
O5 C1 C2 C7 176.1(2) . . . . ?
O5 C1 O6 Ti2 46.0(3) . . . . ?
O6 C1 C2 C3 179.7(2) . . . . ?
O6 C1 C2 C7 -2.4(3) . . . . ?
O6 C1 O5 Ag1 2.5(3) . . . . ?
O7 C22 C23 C24 4.3(3) . . . . ?
O7 C22 C23 C28 -174.5(2) . . . . ?
O7 C22 O8 Ti3 -22.4(3) . . . . ?
O8 C22 C23 C24 -176.8(2) . . . . ?
O8 C22 C23 C28 4.4(3) . . . . ?
O8 C22 O7 Ti2 -30.1(3) . . . . ?
O14 C73 C75 C017 15.1(3) . . . . ?
O14 C73 C75 C74 -161.0(2) . . . . ?
O14 C73 O15 Ti2 -12.0(3) . . . 2_666 ?
O15 C73 C75 C017 -165.5(2) . . . . ?
O15 C73 C75 C74 18.4(3) . . . . ?
O15 C73 O14 Ti4 -47.5(3) . . . . ?
O16 C62 C63 C64 -1.6(3) . . . . ?
O16 C62 C63 C68 177.4(2) . . . . ?
O16 C62 O17 Ti1 2.8(3) . . . 2_666 ?
O17 C62 C63 C64 178.3(2) . . . . ?
O17 C62 C63 C68 -2.7(3) . . . . ?
O17 C62 O16 Ti3 51.3(3) . . . . ?
O18 C83 C84 C85 -13.8(3) . . . . ?
O18 C83 C84 C89 166.8(2) . . . . ?
O18 C83 O19 Ti4 4.1(3) . . . 2_666 ?
O19 C83 C84 C85 166.1(2) . . . . ?
O19 C83 C84 C89 -13.3(3) . . . . ?
O19 C83 O18 Ti3 -0.4(3) . . . . ?
P006 C44 C45 C46 176.6(2) . . . . ?
P006 C44 C49 C48 -177.9(3) . . . . ?
P006 C50 C51 C52 -177.5(2) . . . . ?
P006 C50 C55 C54 177.34(19) . . . . ?
P006 C56 C57 C58 178.0(2) . . . . ?
P006 C56 C61 C60 -178.9(2) . . . . ?
Ti1 O9 Ti2 O6 -97.87(7) . . . . ?
Ti1 O9 Ti2 O7 -178.78(6) . . . . ?
Ti1 O9 Ti2 O10 -0.44(6) . . . . ?
Ti1 O9 Ti2 O13 95.71(6) . . . . ?
Ti1 O10 Ti2 O6 97.91(7) . . . . ?
Ti1 O10 Ti2 O9 0.45(7) . . . . ?
Ti1 O10 Ti2 O13 -91.41(7) . . . . ?
Ti1 O10 Ti2 O15 -177.60(7) . . . 2_666 ?
Ti2 O9 Ti1 O2 97.11(7) . . . . ?
Ti2 O9 Ti1 O3 178.62(6) . . . . ?
Ti2 O9 Ti1 O10 0.45(6) . . . . ?
Ti2 O9 Ti1 O12 -96.60(6) . . . . ?
Ti2 O10 Ti1 O2 -97.04(7) . . . . ?
Ti2 O10 Ti1 O9 -0.45(6) . . . . ?
Ti2 O10 Ti1 O12 92.38(7) . . . . ?
Ti2 O10 Ti1 O17 177.72(6) . . . 2_666 ?
Ti3 O11 Ti4 O4 134.07(15) . . . . ?
Ti3 O11 Ti4 O12 43.20(15) . . . . ?
Ti3 O11 Ti4 O13 -38.63(16) . . . 2_666 ?
Ti3 O11 Ti4 O14 -130.05(15) . . . . ?
Ti3 O11 Ti4 Ti3 2.30(16) . . . 2_666 ?
Ti4 O11 Ti3 O8 -136.18(15) . . . . ?
Ti4 O11 Ti3 O12 38.58(15) . . . 2_666 ?
Ti4 O11 Ti3 O13 -42.71(15) . . . . ?
Ti4 O11 Ti3 O16 130.77(15) . . . . ?
Ti4 O11 Ti3 Ti4 -2.26(16) . . . 2_666 ?

# (APPEND TO CIF)
_vrf_PLAT260_1                   
;
PROBLEM:   Large Average Ueq of Residue Including        N1      0.144  
RESPONSE: This is because the guest CH3CN molecules were disorder.
;

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 1916931'
loop_
_audit_author_name
_audit_author_address
'Youzhu Yu'
;Anyang Institute of Technology
China
;
_audit_update_record             
;
2019-07-17 deposited with the CCDC.	2019-08-07 downloaded from the CCDC.
;
_audit_creation_date             2019-07-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C148 H128 Ag2 O38 P2 Ti8, 8(C2 H3 N)'
_chemical_formula_sum            'C164 H152 Ag2 N8 O38 P2 Ti8'
_chemical_formula_weight         3503.81
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.2916(2)
_cell_length_b                   16.8434(3)
_cell_length_c                   17.8849(3)
_cell_angle_alpha                67.8580(10)
_cell_angle_beta                 82.7640(10)
_cell_angle_gamma                78.7810(10)
_cell_volume                     4178.20(12)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9919
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      32.74
_cell_measurement_theta_min      3.21
_shelx_estimated_absorpt_T_max   0.858
_shelx_estimated_absorpt_T_min   0.816
_exptl_absorpt_coefficient_mu    0.684
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1796
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0147
_diffrn_reflns_av_unetI/netI     0.0155
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            43443
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.781
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13317
_reflns_number_total             14512
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_refine_diff_density_max         1.880
_refine_diff_density_min         -1.583
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     973
_refine_ls_number_reflns         14512
_refine_ls_number_restraints     713
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0325
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0388P)²+6.1592P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0858
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H) groups, All C(H,H,H) groups
2. Restrained distances
 C100-N4
 2.6 with sigma of 0.01
 C100-C101
 1.45 with sigma of 0.01
 N4-C101
 1.15 with sigma of 0.01
 C100-N4A
 2.6 with sigma of 0.01
 N4A-C101
 1.15 with sigma of 0.01
3. Rigid bond restraints
 C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14, C15, C16, C17,
 C18, C19, C20, C21, C22, C23, C24, C25, C26, C27, C28, C29, C30, C31, C32, C33,
  C34, C35, C36, C37, C38, C39, C40, C41, C42, C43, C44, C45, C46, C47, C48,
 C49, C50, C51, C52, C53, C54, C55, C56, C57, C58, C59, C60, C61, C62, C63, C64,
  C65, C66, C67, C68, C69, C70, C71, C72, C73, C74, C75, C76, C77, C78, C79,
 C80, C100, C101
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Ag1, O13
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 Ag1, P1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25
\\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33
\\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41
\\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49
\\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57
\\sim C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65
\\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72 \\sim C73
\\sim C74 \\sim C75 \\sim C76 \\sim C77 \\sim C78 \\sim C79 \\sim C80 \\sim
C100 \\sim C101: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C22) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C40)
\\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(C101) \\sim Ueq,
Uanis(N4) \\sim Ueq, Uanis(N4A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C76) \\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(C80) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.01
Uanis(C76) = Uanis(C75)
Uanis(C77) = Uanis(C78)
Uanis(C79) = Uanis(C80)
Uanis(C34) = Uanis(C35) = Uanis(C36) = Uanis(C37) = Uanis(C38) = Uanis(C39)
5. Others
 Sof(N4A)=1-FVAR(1)
 Sof(N4)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C7(H7), C8(H8), C11(H11), C12(H12), C14(H14), C15(H15),
 C19(H19), C20(H20), C23(H23), C24(H24), C27(H27), C28(H28), C31(H31), C32(H32),
  C35(H35), C36(H36), C38(H38), C39(H39), C43(H43), C44(H44), C47(H47),
 C48(H48), C51(H51), C52(H52), C54(H54), C55(H55), C58(H58), C59(H59), C60(H60),
  C61(H61), C62(H62), C64(H64), C65(H65), C66(H66), C67(H67), C68(H68),
 C70(H70), C71(H71), C72(H72), C73(H73), C74(H74)
6.b Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C16(H16A,H16B,H16C), C22(H22A,H22B,H22C), C30(H30A,H30B,
 H30C), C40(H40A,H40B,H40C), C46(H46A,H46B,H46C), C56(H56A,H56B,H56C), C75(H75A,
 H75B,H75C), C77(H77A,H77B,H77C), C79(H79A,H79B,H79C), C100(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.53910(2) 0.20022(2) 0.76895(2) 0.02447(6) Uani 1 1 d . U . . .
C1 C 0.40142(14) 0.39171(15) 0.33113(13) 0.0199(5) Uani 1 1 d . U . . .
C2 C 0.34656(16) 0.34443(15) 0.30454(15) 0.0241(5) Uani 1 1 d . U . . .
C3 C 0.30555(18) 0.27865(17) 0.36116(16) 0.0315(6) Uani 1 1 d . U . . .
H3 H 0.3153 0.2617 0.4157 0.047 Uiso 1 1 calc R . . . .
C4 C 0.2501(2) 0.2378(2) 0.3372(2) 0.0447(7) Uani 1 1 d . U . . .
H4 H 0.2219 0.1945 0.3759 0.067 Uiso 1 1 calc R . . . .
C5 C 0.2361(2) 0.2607(2) 0.2564(2) 0.0546(9) Uani 1 1 d . U . . .
C6 C 0.1761(4) 0.2147(3) 0.2310(3) 0.0952(17) Uani 1 1 d . U . . .
H6A H 0.2105 0.1844 0.1984 0.143 Uiso 1 1 calc GR . . . .
H6B H 0.1293 0.2566 0.2004 0.143 Uiso 1 1 calc GR . . . .
H6C H 0.1504 0.1740 0.2782 0.143 Uiso 1 1 calc GR . . . .
C7 C 0.2777(3) 0.3259(2) 0.2004(2) 0.0564(9) Uani 1 1 d . U . . .
H7 H 0.2692 0.3417 0.1458 0.085 Uiso 1 1 calc R . . . .
C8 C 0.3321(2) 0.36861(18) 0.22350(17) 0.0387(6) Uani 1 1 d . U . . .
H8 H 0.3587 0.4132 0.1848 0.058 Uiso 1 1 calc R . . . .
C9 C 0.19412(14) 0.56254(15) 0.52035(13) 0.0200(5) Uani 1 1 d . U . . .
C10 C 0.10165(15) 0.55091(16) 0.55305(14) 0.0242(5) Uani 1 1 d . U . . .
C11 C 0.08621(18) 0.47211(18) 0.61144(19) 0.0405(7) Uani 1 1 d . U . . .
H11 H 0.1339 0.4278 0.6305 0.061 Uiso 1 1 calc R . . . .
C12 C 0.0004(2) 0.4591(2) 0.6414(2) 0.0542(9) Uani 1 1 d . U . . .
H12 H -0.0092 0.4059 0.6803 0.081 Uiso 1 1 calc R . . . .
C13 C -0.07170(18) 0.5243(2) 0.6143(2) 0.0452(7) Uani 1 1 d . U . . .
C14 C -0.05563(19) 0.6027(2) 0.5577(2) 0.0500(8) Uani 1 1 d . U . . .
H14 H -0.1033 0.6475 0.5400 0.075 Uiso 1 1 calc R . . . .
C15 C 0.03001(17) 0.6166(2) 0.52663(18) 0.0414(7) Uani 1 1 d . U . . .
H15 H 0.0394 0.6701 0.4880 0.062 Uiso 1 1 calc R . . . .
C16 C -0.1654(2) 0.5091(3) 0.6469(3) 0.0720(12) Uani 1 1 d . U . . .
H16A H -0.1679 0.4481 0.6663 0.108 Uiso 1 1 calc GR . . . .
H16B H -0.2060 0.5395 0.6046 0.108 Uiso 1 1 calc GR . . . .
H16C H -0.1820 0.5302 0.6905 0.108 Uiso 1 1 calc GR . . . .
C17 C 0.33015(14) 0.62735(14) 0.65234(13) 0.0191(4) Uani 1 1 d . U . . .
C18 C 0.27680(15) 0.66307(16) 0.71160(14) 0.0244(5) Uani 1 1 d . U . . .
C19 C 0.29138(17) 0.73994(17) 0.71585(16) 0.0310(6) Uani 1 1 d . U . . .
H19 H 0.3314 0.7722 0.6788 0.047 Uiso 1 1 calc R . . . .
C20 C 0.2462(2) 0.7686(2) 0.7755(2) 0.0455(7) Uani 1 1 d . U . . .
H20 H 0.2550 0.8211 0.7770 0.068 Uiso 1 1 calc R . . . .
C21 C 0.1880(2) 0.7203(3) 0.8329(2) 0.0566(9) Uani 1 1 d . U . . .
C22 C 0.1430(3) 0.7496(4) 0.9008(3) 0.0942(16) Uani 1 1 d . U . . .
H22A H 0.1789 0.7848 0.9111 0.141 Uiso 1 1 calc GR . . . .
H22B H 0.1363 0.6997 0.9488 0.141 Uiso 1 1 calc GR . . . .
H22C H 0.0852 0.7829 0.8855 0.141 Uiso 1 1 calc GR . . . .
C23 C 0.1729(2) 0.6446(2) 0.8273(2) 0.0557(9) Uani 1 1 d . U . . .
H23 H 0.1330 0.6123 0.8645 0.083 Uiso 1 1 calc R . . . .
C24 C 0.21616(19) 0.6161(2) 0.76686(17) 0.0387(6) Uani 1 1 d . U . . .
H24 H 0.2046 0.5654 0.7634 0.058 Uiso 1 1 calc R . . . .
C25 C 0.58228(16) 0.31205(15) 0.86904(14) 0.0237(5) Uani 1 1 d . U . . .
C26 C 0.58406(16) 0.33801(15) 0.93951(14) 0.0243(5) Uani 1 1 d . U . . .
C27 C 0.53402(19) 0.30102(18) 1.01009(15) 0.0335(6) Uani 1 1 d . U . . .
H27 H 0.5030 0.2568 1.0148 0.050 Uiso 1 1 calc R . . . .
C28 C 0.5302(2) 0.3298(2) 1.07341(16) 0.0399(6) Uani 1 1 d . U . . .
H28 H 0.4953 0.3053 1.1201 0.060 Uiso 1 1 calc R . . . .
C29 C 0.57695(19) 0.39421(19) 1.06901(16) 0.0363(6) Uani 1 1 d . U . . .
C30 C 0.5696(2) 0.4278(2) 1.1368(2) 0.0532(9) Uani 1 1 d . U . . .
H30A H 0.5265 0.4800 1.1249 0.080 Uiso 1 1 calc GR . . . .
H30B H 0.6267 0.4400 1.1425 0.080 Uiso 1 1 calc GR . . . .
H30C H 0.5510 0.3848 1.1862 0.080 Uiso 1 1 calc GR . . . .
C31 C 0.6290(2) 0.42853(19) 0.99949(17) 0.0396(6) Uani 1 1 d . U . . .
H31 H 0.6627 0.4704 0.9960 0.059 Uiso 1 1 calc R . . . .
C32 C 0.63200(19) 0.40167(18) 0.93465(16) 0.0335(6) Uani 1 1 d . U . . .
H32 H 0.6664 0.4266 0.8877 0.050 Uiso 1 1 calc R . . . .
C33 C 0.75437(16) 0.17425(15) 0.72278(14) 0.0246(5) Uani 1 1 d . U . . .
C34 C 0.8431(2) 0.1223(2) 0.7142(2) 0.0509(3) Uani 1 1 d . U . . .
C35 C 0.8567(2) 0.0335(2) 0.7544(2) 0.0509(3) Uani 1 1 d . U . . .
H35 H 0.8106 0.0066 0.7871 0.076 Uiso 1 1 calc R . . . .
C36 C 0.9385(2) -0.0159(2) 0.7464(2) 0.0509(3) Uani 1 1 d . U . . .
H36 H 0.9475 -0.0755 0.7751 0.076 Uiso 1 1 calc R . . . .
C37 C 1.0074(2) 0.0229(2) 0.6959(2) 0.0509(3) Uani 1 1 d . U . . .
C38 C 0.9924(2) 0.1116(2) 0.6555(2) 0.0509(3) Uani 1 1 d . U . . .
H38 H 1.0375 0.1386 0.6212 0.076 Uiso 1 1 calc R . . . .
C39 C 0.9116(2) 0.1609(2) 0.6652(2) 0.0509(3) Uani 1 1 d . U . . .
H39 H 0.9033 0.2208 0.6384 0.076 Uiso 1 1 calc R . . . .
C40 C 1.0970(3) -0.0309(3) 0.6870(4) 0.1095(19) Uani 1 1 d . U . . .
H40A H 1.1165 -0.0144 0.6309 0.164 Uiso 1 1 calc GR . . . .
H40B H 1.0913 -0.0913 0.7085 0.164 Uiso 1 1 calc GR . . . .
H40C H 1.1399 -0.0211 0.7161 0.164 Uiso 1 1 calc GR . . . .
C41 C 0.61464(15) 0.21130(14) 0.54639(13) 0.0205(5) Uani 1 1 d . U . . .
C42 C 0.63512(16) 0.13268(15) 0.52476(14) 0.0241(5) Uani 1 1 d . U . . .
C43 C 0.71619(18) 0.07787(16) 0.54262(16) 0.0320(6) Uani 1 1 d . U . . .
H43 H 0.7563 0.0880 0.5718 0.048 Uiso 1 1 calc R . . . .
C44 C 0.7375(2) 0.00777(18) 0.51695(18) 0.0402(7) Uani 1 1 d . U . . .
H44 H 0.7920 -0.0287 0.5291 0.060 Uiso 1 1 calc R . . . .
C45 C 0.6788(2) -0.00840(17) 0.47358(17) 0.0392(6) Uani 1 1 d . U . . .
C46 C 0.7022(3) -0.0831(2) 0.4435(2) 0.0578(9) Uani 1 1 d . U . . .
H46A H 0.7102 -0.0608 0.3856 0.087 Uiso 1 1 calc GR . . . .
H46B H 0.6547 -0.1171 0.4598 0.087 Uiso 1 1 calc GR . . . .
H46C H 0.7564 -0.1189 0.4662 0.087 Uiso 1 1 calc GR . . . .
C47 C 0.5973(2) 0.04592(18) 0.45723(17) 0.0388(6) Uani 1 1 d . U . . .
H47 H 0.5567 0.0350 0.4290 0.058 Uiso 1 1 calc R . . . .
C48 C 0.57525(18) 0.11611(17) 0.48221(16) 0.0315(6) Uani 1 1 d . U . . .
H48 H 0.5205 0.1521 0.4705 0.047 Uiso 1 1 calc R . . . .
C49 C 0.37443(15) 0.39451(14) 0.75663(13) 0.0192(5) Uani 1 1 d . U . . .
C50 C 0.30345(16) 0.36951(16) 0.82146(14) 0.0242(5) Uani 1 1 d . U . . .
C51 C 0.31061(18) 0.37183(19) 0.89704(15) 0.0351(6) Uani 1 1 d . U . . .
H51 H 0.3605 0.3888 0.9079 0.053 Uiso 1 1 calc R . . . .
C52 C 0.2430(2) 0.3487(3) 0.95592(18) 0.0550(9) Uani 1 1 d . U . . .
H52 H 0.2474 0.3513 1.0063 0.083 Uiso 1 1 calc R . . . .
C53 C 0.1684(2) 0.3217(3) 0.9416(2) 0.0618(10) Uani 1 1 d . U . . .
C54 C 0.22912(18) 0.34297(19) 0.80650(16) 0.0346(6) Uani 1 1 d . U . . .
H54 H 0.2239 0.3414 0.7558 0.052 Uiso 1 1 calc R . . . .
C55 C 0.1631(2) 0.3189(3) 0.86651(19) 0.0531(8) Uani 1 1 d . U . . .
H55 H 0.1140 0.3005 0.8561 0.080 Uiso 1 1 calc R . . . .
C56 C 0.0954(3) 0.2950(4) 1.0073(3) 0.0998(17) Uani 1 1 d . U . . .
H56A H 0.0437 0.2917 0.9840 0.150 Uiso 1 1 calc GR . . . .
H56B H 0.0801 0.3372 1.0329 0.150 Uiso 1 1 calc GR . . . .
H56C H 0.1162 0.2393 1.0468 0.150 Uiso 1 1 calc GR . . . .
C57 C 0.32764(16) 0.15999(15) 0.74054(14) 0.0246(5) Uani 1 1 d . U . . .
C58 C 0.24539(18) 0.13537(18) 0.77280(16) 0.0334(6) Uani 1 1 d . U . . .
H58 H 0.2412 0.0919 0.8235 0.050 Uiso 1 1 calc R . . . .
C59 C 0.16964(19) 0.1751(2) 0.73008(19) 0.0410(7) Uani 1 1 d . U . . .
H59 H 0.1146 0.1586 0.7521 0.062 Uiso 1 1 calc R . . . .
C60 C 0.1757(2) 0.23966(18) 0.65439(18) 0.0395(6) Uani 1 1 d . U . . .
H60 H 0.1247 0.2664 0.6257 0.059 Uiso 1 1 calc R . . . .
C61 C 0.25698(19) 0.26425(17) 0.62158(16) 0.0340(6) Uani 1 1 d . U . . .
H61 H 0.2608 0.3073 0.5706 0.051 Uiso 1 1 calc R . . . .
C62 C 0.33313(17) 0.22495(15) 0.66432(15) 0.0265(5) Uani 1 1 d . U . . .
H62 H 0.3879 0.2419 0.6422 0.040 Uiso 1 1 calc R . . . .
C63 C 0.39520(16) 0.07120(16) 0.90031(14) 0.0260(5) Uani 1 1 d . U . . .
C64 C 0.3702(2) 0.13379(18) 0.93525(16) 0.0403(7) Uani 1 1 d . U . . .
H64 H 0.3690 0.1921 0.9032 0.060 Uiso 1 1 calc R . . . .
C65 C 0.3471(2) 0.1107(2) 1.01707(18) 0.0490(8) Uani 1 1 d . U . . .
H65 H 0.3299 0.1532 1.0397 0.074 Uiso 1 1 calc R . . . .
C66 C 0.3496(2) 0.0241(2) 1.06514(17) 0.0461(7) Uani 1 1 d . U . . .
H66 H 0.3338 0.0082 1.1202 0.069 Uiso 1 1 calc R . . . .
C67 C 0.3750(2) -0.0377(2) 1.03196(18) 0.0475(8) Uani 1 1 d . U . . .
H67 H 0.3768 -0.0959 1.0646 0.071 Uiso 1 1 calc R . . . .
C68 C 0.39856(19) -0.01518(18) 0.94950(17) 0.0377(6) Uani 1 1 d . U . . .
H68 H 0.4165 -0.0583 0.9276 0.057 Uiso 1 1 calc R . . . .
C69 C 0.46912(17) 0.01428(16) 0.76663(15) 0.0277(5) Uani 1 1 d . U . . .
C70 C 0.41422(19) -0.04610(18) 0.77493(19) 0.0397(6) Uani 1 1 d . U . . .
H70 H 0.3550 -0.0377 0.7939 0.059 Uiso 1 1 calc R . . . .
C71 C 0.4479(2) -0.1183(2) 0.7549(2) 0.0479(7) Uani 1 1 d . U . . .
H71 H 0.4114 -0.1589 0.7615 0.072 Uiso 1 1 calc R . . . .
C72 C 0.5347(2) -0.1305(2) 0.7255(2) 0.0483(7) Uani 1 1 d . U . . .
H72 H 0.5569 -0.1793 0.7123 0.073 Uiso 1 1 calc R . . . .
C73 C 0.5892(2) -0.0705(2) 0.7154(2) 0.0461(7) Uani 1 1 d . U . . .
H73 H 0.6478 -0.0783 0.6946 0.069 Uiso 1 1 calc R . . . .
C74 C 0.55643(18) 0.00151(17) 0.73645(17) 0.0346(6) Uani 1 1 d . U . . .
H74 H 0.5935 0.0416 0.7302 0.052 Uiso 1 1 calc R . . . .
C75 C 0.1132(4) 0.0710(5) 0.9902(4) 0.1300(17) Uani 1 1 d . U . . .
H75A H 0.0674 0.1192 0.9669 0.195 Uiso 1 1 calc GR . . . .
H75B H 0.1701 0.0904 0.9788 0.195 Uiso 1 1 calc GR . . . .
H75C H 0.1013 0.0467 1.0476 0.195 Uiso 1 1 calc GR . . . .
C76 C 0.1145(5) 0.0067(6) 0.9564(5) 0.1300(17) Uani 1 1 d . U . . .
C77 C 0.8884(3) 0.2126(3) 0.4294(3) 0.0859(10) Uani 1 1 d . U . . .
H77A H 0.8814 0.2681 0.3860 0.129 Uiso 1 1 calc GR . . . .
H77B H 0.8647 0.2197 0.4792 0.129 Uiso 1 1 calc GR . . . .
H77C H 0.8569 0.1743 0.4188 0.129 Uiso 1 1 calc GR . . . .
C78 C 0.9817(3) 0.1763(4) 0.4356(3) 0.0859(10) Uani 1 1 d . U . . .
C79 C 0.8056(3) 0.2246(5) 0.8818(4) 0.1120(14) Uani 1 1 d . U . . .
H79A H 0.7680 0.2673 0.8414 0.168 Uiso 1 1 calc GR . . . .
H79B H 0.7839 0.2261 0.9341 0.168 Uiso 1 1 calc GR . . . .
H79C H 0.8049 0.1680 0.8811 0.168 Uiso 1 1 calc GR . . . .
C80 C 0.8923(4) 0.2425(5) 0.8656(4) 0.1120(14) Uani 1 1 d . U . . .
C100 C 0.9743(7) 0.5272(8) 0.8128(7) 0.217(4) Uani 1 1 d D U . . .
H10A H 0.9598 0.4946 0.7834 0.326 Uiso 1 1 calc GR . . . .
H10B H 1.0374 0.5144 0.8199 0.326 Uiso 1 1 calc GR . . . .
H10C H 0.9577 0.5882 0.7831 0.326 Uiso 1 1 calc GR . . . .
C101 C 0.9256(9) 0.5036(10) 0.8922(8) 0.248(5) Uani 1 1 d D U . . .
N1 N 0.9609(5) 0.2503(10) 0.8557(6) 0.316(7) Uani 1 1 d . . . . .
N2 N 1.0543(3) 0.1500(4) 0.4425(3) 0.1204(18) Uani 1 1 d . . . . .
N3 N 0.1180(7) -0.0398(5) 0.9255(5) 0.200(4) Uani 1 1 d . . . . .
N4 N 0.9208(19) 0.5142(16) 0.9563(9) 0.287(15) Uani 0.57(3) 1 d D U P A 1
N4A N 0.8590(14) 0.4782(18) 0.9293(13) 0.245(17) Uani 0.43(3) 1 d D U P A 2
O1 O 0.42261(11) 0.46186(10) 0.28149(9) 0.0229(3) Uani 1 1 d . . . . .
O2 O 0.42226(10) 0.35822(10) 0.40428(9) 0.0208(3) Uani 1 1 d . . . . .
O3 O 0.20971(10) 0.63371(10) 0.46809(9) 0.0231(3) Uani 1 1 d . . . . .
O4 O 0.25486(10) 0.49668(10) 0.54703(9) 0.0203(3) Uani 1 1 d . . . . .
O5 O 0.42132(10) 0.40749(9) 0.53364(9) 0.0166(3) Uani 1 1 d . . . . .
O6 O 0.51546(9) 0.49499(9) 0.38891(8) 0.0152(3) Uani 1 1 d . . . . .
O7 O 0.53635(10) 0.25626(9) 0.53435(9) 0.0205(3) Uani 1 1 d . . . . .
O8 O 0.60759(9) 0.40632(9) 0.50489(8) 0.0153(3) Uani 1 1 d . . . . .
O9 O 0.44398(10) 0.41395(10) 0.77095(9) 0.0216(3) Uani 1 1 d . . . . .
O10 O 0.36123(10) 0.39408(10) 0.68769(9) 0.0200(3) Uani 1 1 d . . . . .
O11 O 0.30658(10) 0.56246(10) 0.64579(9) 0.0204(3) Uani 1 1 d . . . . .
O12 O 0.39610(10) 0.66247(10) 0.61392(9) 0.0200(3) Uani 1 1 d . . . . .
O13 O 0.56536(10) 0.33141(9) 0.66938(9) 0.0171(3) Uani 1 1 d . U . . .
O14 O 0.66855(10) 0.43579(10) 0.63388(9) 0.0179(3) Uani 1 1 d . . . . .
O15 O 0.67428(11) 0.23202(10) 0.57406(10) 0.0232(3) Uani 1 1 d . . . . .
O16 O 0.74860(10) 0.25765(10) 0.68609(9) 0.0235(3) Uani 1 1 d . . . . .
O17 O 0.69238(12) 0.13807(12) 0.76275(11) 0.0346(4) Uani 1 1 d . . . . .
O18 O 0.61548(11) 0.36251(11) 0.80086(9) 0.0241(3) Uani 1 1 d . . . . .
O19 O 0.55133(13) 0.24743(11) 0.87643(10) 0.0331(4) Uani 1 1 d . . . . .
P1 P 0.43046(4) 0.11022(4) 0.79311(4) 0.02240(13) Uani 1 1 d . U . . .
Ti1 Ti 0.50894(2) 0.38047(2) 0.46591(2) 0.01445(8) Uani 1 1 d . . . . .
Ti2 Ti 0.37571(2) 0.48533(2) 0.58074(2) 0.01450(9) Uani 1 1 d . . . . .
Ti3 Ti 0.56457(3) 0.42714(2) 0.69719(2) 0.01585(9) Uani 1 1 d . . . . .
Ti4 Ti 0.67054(2) 0.34258(2) 0.60542(2) 0.01634(9) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O13 2.3268(14) . ?
Ag1 O17 2.3811(18) . ?
Ag1 O19 2.3798(17) . ?
Ag1 P1 2.3558(6) . ?
C1 C2 1.487(3) . ?
C1 O1 1.255(3) . ?
C1 O2 1.269(3) . ?
C2 C3 1.382(4) . ?
C2 C8 1.384(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.385(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.380(5) . ?
C5 C6 1.517(4) . ?
C5 C7 1.377(5) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7 0.9300 . ?
C7 C8 1.386(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.481(3) . ?
C9 O3 1.256(3) . ?
C9 O4 1.278(3) . ?
C10 C11 1.387(4) . ?
C10 C15 1.383(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.380(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.384(5) . ?
C13 C14 1.373(5) . ?
C13 C16 1.510(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.384(4) . ?
C15 H15 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.491(3) . ?
C17 O11 1.264(3) . ?
C17 O12 1.261(3) . ?
C18 C19 1.387(4) . ?
C18 C24 1.388(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.386(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.389(5) . ?
C21 C22 1.517(5) . ?
C21 C23 1.382(5) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23 0.9300 . ?
C23 C24 1.387(4) . ?
C24 H24 0.9300 . ?
C25 C26 1.486(3) . ?
C25 O18 1.303(3) . ?
C25 O19 1.226(3) . ?
C26 C27 1.384(3) . ?
C26 C32 1.384(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.380(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.386(4) . ?
C29 C30 1.503(4) . ?
C29 C31 1.379(4) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31 0.9300 . ?
C31 C32 1.388(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.489(4) . ?
C33 O16 1.297(3) . ?
C33 O17 1.227(3) . ?
C34 C35 1.380(4) . ?
C34 C39 1.374(4) . ?
C35 H35 0.9300 . ?
C35 C36 1.384(4) . ?
C36 H36 0.9300 . ?
C36 C37 1.391(4) . ?
C37 C38 1.378(4) . ?
C37 C40 1.514(5) . ?
C38 H38 0.9300 . ?
C38 C39 1.380(4) . ?
C39 H39 0.9300 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 C42 1.482(3) . ?
C41 O7 1.281(3) . ?
C41 O15 1.251(3) . ?
C42 C43 1.387(4) . ?
C42 C48 1.389(4) . ?
C43 H43 0.9300 . ?
C43 C44 1.390(4) . ?
C44 H44 0.9300 . ?
C44 C45 1.383(4) . ?
C45 C46 1.512(4) . ?
C45 C47 1.386(4) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47 0.9300 . ?
C47 C48 1.384(4) . ?
C48 H48 0.9300 . ?
C49 C50 1.481(3) . ?
C49 O9 1.253(3) . ?
C49 O10 1.277(3) . ?
C50 C51 1.385(3) . ?
C50 C54 1.388(4) . ?
C51 H51 0.9300 . ?
C51 C52 1.379(4) . ?
C52 H52 0.9300 . ?
C52 C53 1.393(5) . ?
C53 C55 1.374(5) . ?
C53 C56 1.516(4) . ?
C54 H54 0.9300 . ?
C54 C55 1.376(4) . ?
C55 H55 0.9300 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 C58 1.388(4) . ?
C57 C62 1.395(3) . ?
C57 P1 1.823(2) . ?
C58 H58 0.9300 . ?
C58 C59 1.382(4) . ?
C59 H59 0.9300 . ?
C59 C60 1.386(4) . ?
C60 H60 0.9300 . ?
C60 C61 1.376(4) . ?
C61 H61 0.9300 . ?
C61 C62 1.386(4) . ?
C62 H62 0.9300 . ?
C63 C64 1.388(4) . ?
C63 C68 1.382(4) . ?
C63 P1 1.824(2) . ?
C64 H64 0.9300 . ?
C64 C65 1.383(4) . ?
C65 H65 0.9300 . ?
C65 C66 1.382(5) . ?
C66 H66 0.9300 . ?
C66 C67 1.355(5) . ?
C67 H67 0.9300 . ?
C67 C68 1.395(4) . ?
C68 H68 0.9300 . ?
C69 C70 1.396(4) . ?
C69 C74 1.384(4) . ?
C69 P1 1.822(3) . ?
C70 H70 0.9300 . ?
C70 C71 1.382(4) . ?
C71 H71 0.9300 . ?
C71 C72 1.371(5) . ?
C72 H72 0.9300 . ?
C72 C73 1.378(4) . ?
C73 H73 0.9300 . ?
C73 C74 1.387(4) . ?
C74 H74 0.9300 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C75 C76 1.421(10) . ?
C76 N3 1.107(9) . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C77 C78 1.439(6) . ?
C78 N2 1.117(6) . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C79 C80 1.387(7) . ?
C80 N1 1.067(8) . ?
C100 H10A 0.9600 . ?
C100 H10B 0.9600 . ?
C100 H10C 0.9600 . ?
C100 C101 1.468(8) . ?
C101 N4 1.217(9) . ?
C101 N4A 1.203(9) . ?
O1 Ti3 2.0924(16) 2_666 ?
O2 Ti1 1.9963(15) . ?
O3 Ti4 2.1268(16) 2_666 ?
O4 Ti2 1.9676(15) . ?
O5 Ti1 1.7998(15) . ?
O5 Ti2 1.8012(15) . ?
O6 Ti1 1.9144(14) . ?
O6 Ti2 1.9370(14) 2_666 ?
O6 Ti3 1.9791(14) 2_666 ?
O7 Ti1 1.9770(15) . ?
O8 Ti1 1.9237(14) . ?
O8 Ti2 1.9280(14) 2_666 ?
O8 Ti4 1.9725(14) . ?
O9 Ti3 2.1251(16) . ?
O10 Ti2 1.9697(15) . ?
O11 Ti2 2.1104(15) . ?
O12 Ti1 2.1254(15) 2_666 ?
O13 Ti3 1.8555(15) . ?
O13 Ti4 1.8501(15) . ?
O14 Ti3 1.8286(15) . ?
O14 Ti4 1.8178(15) . ?
O15 Ti4 2.1269(16) . ?
O16 Ti4 1.9406(15) . ?
O18 Ti3 1.9342(15) . ?
Ti1 O12 2.1254(15) 2_666 ?
Ti1 Ti2 2.9454(5) 2_666 ?
Ti2 O6 1.9370(14) 2_666 ?
Ti2 O8 1.9280(14) 2_666 ?
Ti2 Ti1 2.9454(5) 2_666 ?
Ti3 O1 2.0924(16) 2_666 ?
Ti3 O6 1.9790(14) 2_666 ?
Ti4 O3 2.1268(16) 2_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O13 Ag1 O17 91.75(5) . . ?
O13 Ag1 O19 93.38(5) . . ?
O13 Ag1 P1 134.57(4) . . ?
O19 Ag1 O17 95.15(7) . . ?
P1 Ag1 O17 118.36(5) . . ?
P1 Ag1 O19 114.88(5) . . ?
O1 C1 C2 119.0(2) . . ?
O1 C1 O2 124.3(2) . . ?
O2 C1 C2 116.7(2) . . ?
C3 C2 C1 120.1(2) . . ?
C3 C2 C8 119.3(2) . . ?
C8 C2 C1 120.6(2) . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.8(3) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 120.2(3) . . ?
C7 C5 C4 118.4(3) . . ?
C7 C5 C6 121.4(3) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7 119.2 . . ?
C5 C7 C8 121.6(3) . . ?
C8 C7 H7 119.2 . . ?
C2 C8 C7 119.6(3) . . ?
C2 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
O3 C9 C10 120.4(2) . . ?
O3 C9 O4 123.2(2) . . ?
O4 C9 C10 116.5(2) . . ?
C11 C10 C9 119.3(2) . . ?
C15 C10 C9 121.7(2) . . ?
C15 C10 C11 119.0(2) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.3(3) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 119.5 . . ?
C11 C12 C13 120.9(3) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 C16 120.5(3) . . ?
C14 C13 C12 118.4(3) . . ?
C14 C13 C16 121.1(3) . . ?
C13 C14 H14 119.3 . . ?
C13 C14 C15 121.4(3) . . ?
C15 C14 H14 119.3 . . ?
C10 C15 C14 119.9(3) . . ?
C10 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O11 C17 C18 116.99(19) . . ?
O12 C17 C18 118.1(2) . . ?
O12 C17 O11 124.9(2) . . ?
C19 C18 C17 120.7(2) . . ?
C19 C18 C24 119.4(2) . . ?
C24 C18 C17 119.8(2) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 C18 119.9(3) . . ?
C20 C19 H19 120.1 . . ?
C19 C20 H20 119.5 . . ?
C19 C20 C21 121.1(3) . . ?
C21 C20 H20 119.5 . . ?
C20 C21 C22 120.7(3) . . ?
C23 C21 C20 118.5(3) . . ?
C23 C21 C22 120.8(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23 119.5 . . ?
C21 C23 C24 121.0(3) . . ?
C24 C23 H23 119.5 . . ?
C18 C24 H24 120.0 . . ?
C23 C24 C18 120.1(3) . . ?
C23 C24 H24 120.0 . . ?
O18 C25 C26 115.2(2) . . ?
O19 C25 C26 121.0(2) . . ?
O19 C25 O18 123.8(2) . . ?
C27 C26 C25 119.9(2) . . ?
C32 C26 C25 121.0(2) . . ?
C32 C26 C27 119.1(2) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0(3) . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 119.2 . . ?
C27 C28 C29 121.5(3) . . ?
C29 C28 H28 119.2 . . ?
C28 C29 C30 121.3(3) . . ?
C31 C29 C28 118.0(2) . . ?
C31 C29 C30 120.6(3) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31 119.5 . . ?
C29 C31 C32 121.1(3) . . ?
C32 C31 H31 119.5 . . ?
C26 C32 C31 120.3(3) . . ?
C26 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
O16 C33 C34 115.7(2) . . ?
O17 C33 C34 120.3(2) . . ?
O17 C33 O16 124.0(2) . . ?
C35 C34 C33 119.7(3) . . ?
C39 C34 C33 121.2(3) . . ?
C39 C34 C35 119.1(3) . . ?
C34 C35 H35 119.8 . . ?
C34 C35 C36 120.5(3) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 119.7 . . ?
C35 C36 C37 120.5(3) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 C40 120.7(3) . . ?
C38 C37 C36 118.2(3) . . ?
C38 C37 C40 121.0(3) . . ?
C37 C38 H38 119.5 . . ?
C37 C38 C39 121.1(3) . . ?
C39 C38 H38 119.5 . . ?
C34 C39 C38 120.6(3) . . ?
C34 C39 H39 119.7 . . ?
C38 C39 H39 119.7 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O7 C41 C42 118.1(2) . . ?
O15 C41 C42 119.2(2) . . ?
O15 C41 O7 122.7(2) . . ?
C43 C42 C41 120.4(2) . . ?
C43 C42 C48 119.5(2) . . ?
C48 C42 C41 120.1(2) . . ?
C42 C43 H43 120.0 . . ?
C42 C43 C44 120.0(3) . . ?
C44 C43 H43 120.0 . . ?
C43 C44 H44 119.6 . . ?
C45 C44 C43 120.9(3) . . ?
C45 C44 H44 119.6 . . ?
C44 C45 C46 121.3(3) . . ?
C44 C45 C47 118.7(2) . . ?
C47 C45 C46 120.0(3) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47 119.5 . . ?
C48 C47 C45 121.0(3) . . ?
C48 C47 H47 119.5 . . ?
C42 C48 H48 120.0 . . ?
C47 C48 C42 119.9(3) . . ?
C47 C48 H48 120.0 . . ?
O9 C49 C50 120.0(2) . . ?
O9 C49 O10 123.0(2) . . ?
O10 C49 C50 117.0(2) . . ?
C51 C50 C49 120.7(2) . . ?
C51 C50 C54 119.6(2) . . ?
C54 C50 C49 119.6(2) . . ?
C50 C51 H51 120.4 . . ?
C52 C51 C50 119.3(3) . . ?
C52 C51 H51 120.4 . . ?
C51 C52 H52 119.3 . . ?
C51 C52 C53 121.5(3) . . ?
C53 C52 H52 119.3 . . ?
C52 C53 C56 120.9(3) . . ?
C55 C53 C52 118.3(3) . . ?
C55 C53 C56 120.8(3) . . ?
C50 C54 H54 119.9 . . ?
C55 C54 C50 120.1(3) . . ?
C55 C54 H54 119.9 . . ?
C53 C55 C54 121.1(3) . . ?
C53 C55 H55 119.4 . . ?
C54 C55 H55 119.4 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C62 119.3(2) . . ?
C58 C57 P1 122.86(19) . . ?
C62 C57 P1 117.84(18) . . ?
C57 C58 H58 119.8 . . ?
C59 C58 C57 120.4(3) . . ?
C59 C58 H58 119.8 . . ?
C58 C59 H59 120.0 . . ?
C58 C59 C60 119.9(3) . . ?
C60 C59 H59 120.0 . . ?
C59 C60 H60 119.9 . . ?
C61 C60 C59 120.2(3) . . ?
C61 C60 H60 119.9 . . ?
C60 C61 H61 119.9 . . ?
C60 C61 C62 120.1(3) . . ?
C62 C61 H61 119.9 . . ?
C57 C62 H62 120.0 . . ?
C61 C62 C57 120.0(2) . . ?
C61 C62 H62 120.0 . . ?
C64 C63 P1 116.30(18) . . ?
C68 C63 C64 118.5(2) . . ?
C68 C63 P1 125.0(2) . . ?
C63 C64 H64 119.5 . . ?
C65 C64 C63 120.9(3) . . ?
C65 C64 H64 119.5 . . ?
C64 C65 H65 120.1 . . ?
C66 C65 C64 119.8(3) . . ?
C66 C65 H65 120.1 . . ?
C65 C66 H66 120.1 . . ?
C67 C66 C65 119.9(3) . . ?
C67 C66 H66 120.1 . . ?
C66 C67 H67 119.5 . . ?
C66 C67 C68 120.9(3) . . ?
C68 C67 H67 119.5 . . ?
C63 C68 C67 120.0(3) . . ?
C63 C68 H68 120.0 . . ?
C67 C68 H68 120.0 . . ?
C70 C69 P1 122.8(2) . . ?
C74 C69 C70 118.9(2) . . ?
C74 C69 P1 118.30(19) . . ?
C69 C70 H70 120.0 . . ?
C71 C70 C69 120.0(3) . . ?
C71 C70 H70 120.0 . . ?
C70 C71 H71 119.8 . . ?
C72 C71 C70 120.5(3) . . ?
C72 C71 H71 119.8 . . ?
C71 C72 H72 119.9 . . ?
C71 C72 C73 120.2(3) . . ?
C73 C72 H72 119.9 . . ?
C72 C73 H73 120.1 . . ?
C72 C73 C74 119.8(3) . . ?
C74 C73 H73 120.1 . . ?
C69 C74 C73 120.6(3) . . ?
C69 C74 H74 119.7 . . ?
C73 C74 H74 119.7 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C76 C75 H75A 109.5 . . ?
C76 C75 H75B 109.5 . . ?
C76 C75 H75C 109.5 . . ?
N3 C76 C75 175.3(9) . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C78 C77 H77A 109.5 . . ?
C78 C77 H77B 109.5 . . ?
C78 C77 H77C 109.5 . . ?
N2 C78 C77 177.1(6) . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C80 C79 H79A 109.5 . . ?
C80 C79 H79B 109.5 . . ?
C80 C79 H79C 109.5 . . ?
N1 C80 C79 174.9(12) . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C101 C100 H10A 109.5 . . ?
C101 C100 H10B 109.5 . . ?
C101 C100 H10C 109.5 . . ?
N4 C101 C100 141.4(14) . . ?
N4A C101 C100 144.7(15) . . ?
C1 O1 Ti3 128.50(14) . 2_666 ?
C1 O2 Ti1 133.51(14) . . ?
C9 O3 Ti4 126.79(14) . 2_666 ?
C9 O4 Ti2 131.87(14) . . ?
Ti1 O5 Ti2 144.61(9) . . ?
Ti1 O6 Ti2 99.77(7) . 2_666 ?
Ti1 O6 Ti3 131.04(8) . 2_666 ?
Ti2 O6 Ti3 129.19(7) 2_666 2_666 ?
C41 O7 Ti1 125.67(14) . . ?
Ti1 O8 Ti2 99.76(6) . 2_666 ?
Ti1 O8 Ti4 130.10(7) . . ?
Ti2 O8 Ti4 130.11(8) 2_666 . ?
C49 O9 Ti3 126.94(14) . . ?
C49 O10 Ti2 127.95(14) . . ?
C17 O11 Ti2 127.25(14) . . ?
C17 O12 Ti1 126.77(14) . 2_666 ?
Ti3 O13 Ag1 119.91(7) . . ?
Ti4 O13 Ag1 122.41(7) . . ?
Ti4 O13 Ti3 95.65(7) . . ?
Ti4 O14 Ti3 97.73(7) . . ?
C41 O15 Ti4 129.25(15) . . ?
C33 O16 Ti4 132.72(15) . . ?
C33 O17 Ag1 127.53(16) . . ?
C25 O18 Ti3 131.70(15) . . ?
C25 O19 Ag1 125.00(15) . . ?
C57 P1 Ag1 116.44(8) . . ?
C57 P1 C63 105.17(11) . . ?
C63 P1 Ag1 109.85(8) . . ?
C69 P1 Ag1 114.05(8) . . ?
C69 P1 C57 103.96(11) . . ?
C69 P1 C63 106.54(11) . . ?
O2 Ti1 O12 82.69(6) . 2_666 ?
O2 Ti1 Ti2 131.60(5) . 2_666 ?
O5 Ti1 O2 92.01(7) . . ?
O5 Ti1 O6 98.78(6) . . ?
O5 Ti1 O7 95.42(7) . . ?
O5 Ti1 O8 98.76(6) . . ?
O5 Ti1 O12 173.36(6) . 2_666 ?
O5 Ti1 Ti2 106.21(5) . 2_666 ?
O6 Ti1 O2 93.49(6) . . ?
O6 Ti1 O7 164.33(6) . . ?
O6 Ti1 O8 80.11(6) . . ?
O6 Ti1 O12 85.57(6) . 2_666 ?
O6 Ti1 Ti2 40.40(4) . 2_666 ?
O7 Ti1 O2 92.59(7) . . ?
O7 Ti1 O12 80.90(6) . 2_666 ?
O7 Ti1 Ti2 128.38(5) . 2_666 ?
O8 Ti1 O2 168.17(6) . . ?
O8 Ti1 O7 91.25(6) . . ?
O8 Ti1 O12 86.88(6) . 2_666 ?
O8 Ti1 Ti2 40.17(4) . 2_666 ?
O12 Ti1 Ti2 80.35(4) 2_666 2_666 ?
O4 Ti2 O10 96.44(7) . . ?
O4 Ti2 O11 81.80(6) . . ?
O4 Ti2 Ti1 128.22(5) . 2_666 ?
O5 Ti2 O4 92.49(7) . . ?
O5 Ti2 O6 100.12(6) . 2_666 ?
O5 Ti2 O8 102.07(6) . 2_666 ?
O5 Ti2 O10 92.72(7) . . ?
O5 Ti2 O11 170.39(6) . . ?
O5 Ti2 Ti1 109.14(5) . 2_666 ?
O6 Ti2 O4 165.25(7) 2_666 . ?
O6 Ti2 O10 90.62(6) 2_666 . ?
O6 Ti2 O11 86.66(6) 2_666 . ?
O6 Ti2 Ti1 39.83(4) 2_666 2_666 ?
O8 Ti2 O4 90.52(6) 2_666 . ?
O8 Ti2 O6 79.44(6) 2_666 2_666 ?
O8 Ti2 O10 163.38(6) 2_666 . ?
O8 Ti2 O11 85.78(6) 2_666 . ?
O8 Ti2 Ti1 40.06(4) 2_666 2_666 ?
O10 Ti2 O11 80.33(6) . . ?
O10 Ti2 Ti1 127.41(5) . 2_666 ?
O11 Ti2 Ti1 80.42(4) . 2_666 ?
O1 Ti3 O9 91.43(6) 2_666 . ?
O6 Ti3 O1 86.72(6) 2_666 2_666 ?
O6 Ti3 O9 83.83(6) 2_666 . ?
O13 Ti3 O1 172.93(7) . 2_666 ?
O13 Ti3 O6 93.32(6) . 2_666 ?
O13 Ti3 O9 95.60(6) . . ?
O13 Ti3 O18 95.97(7) . . ?
O14 Ti3 O1 89.89(7) . 2_666 ?
O14 Ti3 O6 96.64(6) . 2_666 ?
O14 Ti3 O9 178.62(7) . . ?
O14 Ti3 O13 83.09(7) . . ?
O14 Ti3 O18 98.26(7) . . ?
O18 Ti3 O1 85.76(7) . 2_666 ?
O18 Ti3 O6 163.27(7) . 2_666 ?
O18 Ti3 O9 81.44(6) . . ?
O3 Ti4 O15 88.24(6) 2_666 . ?
O8 Ti4 O3 86.18(6) . 2_666 ?
O8 Ti4 O15 84.46(6) . . ?
O13 Ti4 O3 175.14(7) . 2_666 ?
O13 Ti4 O8 93.06(6) . . ?
O13 Ti4 O15 96.47(7) . . ?
O13 Ti4 O16 96.98(7) . . ?
O14 Ti4 O3 91.78(7) . 2_666 ?
O14 Ti4 O8 96.62(6) . . ?
O14 Ti4 O13 83.54(7) . . ?
O14 Ti4 O15 178.92(7) . . ?
O14 Ti4 O16 98.56(7) . . ?
O16 Ti4 O3 84.97(7) . 2_666 ?
O16 Ti4 O8 162.64(7) . . ?
O16 Ti4 O15 80.37(6) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C79 H79A O18 0.96 2.58 3.441(6) 150.1 .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 O13 Ti3 O6 -131.23(8) . . . 2_666 ?
Ag1 O13 Ti3 O9 -47.11(8) . . . . ?
Ag1 O13 Ti3 O14 132.48(8) . . . . ?
Ag1 O13 Ti3 O18 34.84(9) . . . . ?
Ag1 O13 Ti4 O8 132.89(8) . . . . ?
Ag1 O13 Ti4 O14 -130.79(9) . . . . ?
Ag1 O13 Ti4 O15 48.12(9) . . . . ?
Ag1 O13 Ti4 O16 -32.92(9) . . . . ?
C1 C2 C3 C4 176.1(3) . . . . ?
C1 C2 C8 C7 -177.4(3) . . . . ?
C2 C1 O1 Ti3 144.49(17) . . . 2_666 ?
C2 C1 O2 Ti1 167.54(15) . . . . ?
C2 C3 C4 C5 1.3(5) . . . . ?
C3 C2 C8 C7 -0.7(4) . . . . ?
C3 C4 C5 C6 179.3(4) . . . . ?
C3 C4 C5 C7 -0.8(5) . . . . ?
C4 C5 C7 C8 -0.4(6) . . . . ?
C5 C7 C8 C2 1.2(6) . . . . ?
C6 C5 C7 C8 179.5(4) . . . . ?
C8 C2 C3 C4 -0.5(4) . . . . ?
C9 C10 C11 C12 -178.5(3) . . . . ?
C9 C10 C15 C14 178.9(3) . . . . ?
C10 C9 O3 Ti4 -165.66(15) . . . 2_666 ?
C10 C9 O4 Ti2 -137.50(17) . . . . ?
C10 C11 C12 C13 -0.4(5) . . . . ?
C11 C10 C15 C14 -0.8(4) . . . . ?
C11 C12 C13 C14 -1.0(5) . . . . ?
C11 C12 C13 C16 179.4(3) . . . . ?
C12 C13 C14 C15 1.5(5) . . . . ?
C13 C14 C15 C10 -0.6(5) . . . . ?
C15 C10 C11 C12 1.3(4) . . . . ?
C16 C13 C14 C15 -178.9(3) . . . . ?
C17 C18 C19 C20 -174.9(3) . . . . ?
C17 C18 C24 C23 173.6(3) . . . . ?
C18 C17 O11 Ti2 -171.11(14) . . . . ?
C18 C17 O12 Ti1 174.04(15) . . . 2_666 ?
C18 C19 C20 C21 1.9(5) . . . . ?
C19 C18 C24 C23 -2.1(4) . . . . ?
C19 C20 C21 C22 176.4(4) . . . . ?
C19 C20 C21 C23 -2.9(6) . . . . ?
C20 C21 C23 C24 1.5(6) . . . . ?
C21 C23 C24 C18 1.0(6) . . . . ?
C22 C21 C23 C24 -177.9(4) . . . . ?
C24 C18 C19 C20 0.7(4) . . . . ?
C25 C26 C27 C28 -175.1(2) . . . . ?
C25 C26 C32 C31 176.4(2) . . . . ?
C26 C25 O18 Ti3 -122.6(2) . . . . ?
C26 C25 O19 Ag1 177.76(16) . . . . ?
C26 C27 C28 C29 -1.3(4) . . . . ?
C27 C26 C32 C31 -0.7(4) . . . . ?
C27 C28 C29 C30 177.5(3) . . . . ?
C27 C28 C29 C31 -0.9(4) . . . . ?
C28 C29 C31 C32 2.3(4) . . . . ?
C29 C31 C32 C26 -1.6(4) . . . . ?
C30 C29 C31 C32 -176.1(3) . . . . ?
C32 C26 C27 C28 2.1(4) . . . . ?
C33 C34 C35 C36 179.3(3) . . . . ?
C33 C34 C39 C38 -177.6(3) . . . . ?
C34 C33 O16 Ti4 123.3(2) . . . . ?
C34 C33 O17 Ag1 -168.8(2) . . . . ?
C34 C35 C36 C37 -1.9(6) . . . . ?
C35 C34 C39 C38 0.8(6) . . . . ?
C35 C36 C37 C38 1.2(6) . . . . ?
C35 C36 C37 C40 179.9(4) . . . . ?
C36 C37 C38 C39 0.4(6) . . . . ?
C37 C38 C39 C34 -1.4(6) . . . . ?
C39 C34 C35 C36 0.9(6) . . . . ?
C40 C37 C38 C39 -178.3(4) . . . . ?
C41 C42 C43 C44 -175.4(2) . . . . ?
C41 C42 C48 C47 175.6(2) . . . . ?
C42 C41 O7 Ti1 -121.95(18) . . . . ?
C42 C41 O15 Ti4 176.55(14) . . . . ?
C42 C43 C44 C45 0.0(4) . . . . ?
C43 C42 C48 C47 -0.7(4) . . . . ?
C43 C44 C45 C46 178.5(3) . . . . ?
C43 C44 C45 C47 -1.1(4) . . . . ?
C44 C45 C47 C48 1.3(4) . . . . ?
C45 C47 C48 C42 -0.4(4) . . . . ?
C46 C45 C47 C48 -178.3(3) . . . . ?
C48 C42 C43 C44 0.9(4) . . . . ?
C49 C50 C51 C52 179.5(3) . . . . ?
C49 C50 C54 C55 179.5(3) . . . . ?
C50 C49 O9 Ti3 166.84(15) . . . . ?
C50 C49 O10 Ti2 131.77(18) . . . . ?
C50 C51 C52 C53 1.2(5) . . . . ?
C50 C54 C55 C53 0.9(5) . . . . ?
C51 C50 C54 C55 -0.2(4) . . . . ?
C51 C52 C53 C55 -0.5(6) . . . . ?
C51 C52 C53 C56 179.0(4) . . . . ?
C52 C53 C55 C54 -0.6(6) . . . . ?
C54 C50 C51 C52 -0.8(4) . . . . ?
C56 C53 C55 C54 -180.0(4) . . . . ?
C57 C58 C59 C60 0.3(4) . . . . ?
C58 C57 C62 C61 0.0(4) . . . . ?
C58 C57 P1 Ag1 -148.5(2) . . . . ?
C58 C57 P1 C63 -26.6(2) . . . . ?
C58 C57 P1 C69 85.2(2) . . . . ?
C58 C59 C60 C61 0.1(4) . . . . ?
C59 C60 C61 C62 -0.4(4) . . . . ?
C60 C61 C62 C57 0.4(4) . . . . ?
C62 C57 C58 C59 -0.4(4) . . . . ?
C62 C57 P1 Ag1 32.2(2) . . . . ?
C62 C57 P1 C63 154.03(19) . . . . ?
C62 C57 P1 C69 -94.2(2) . . . . ?
C63 C64 C65 C66 0.6(5) . . . . ?
C64 C63 C68 C67 1.5(4) . . . . ?
C64 C63 P1 Ag1 50.6(2) . . . . ?
C64 C63 P1 C57 -75.4(2) . . . . ?
C64 C63 P1 C69 174.6(2) . . . . ?
C64 C65 C66 C67 0.3(5) . . . . ?
C65 C66 C67 C68 -0.3(5) . . . . ?
C66 C67 C68 C63 -0.7(5) . . . . ?
C68 C63 C64 C65 -1.5(4) . . . . ?
C68 C63 P1 Ag1 -123.9(2) . . . . ?
C68 C63 P1 C57 110.0(2) . . . . ?
C68 C63 P1 C69 0.1(3) . . . . ?
C69 C70 C71 C72 -1.2(5) . . . . ?
C70 C69 C74 C73 -0.6(4) . . . . ?
C70 C69 P1 Ag1 -178.7(2) . . . . ?
C70 C69 P1 C57 -50.8(3) . . . . ?
C70 C69 P1 C63 60.0(3) . . . . ?
C70 C71 C72 C73 -0.2(5) . . . . ?
C71 C72 C73 C74 1.1(5) . . . . ?
C72 C73 C74 C69 -0.7(5) . . . . ?
C74 C69 C70 C71 1.5(4) . . . . ?
C74 C69 P1 Ag1 0.8(2) . . . . ?
C74 C69 P1 C57 128.6(2) . . . . ?
C74 C69 P1 C63 -120.6(2) . . . . ?
O1 C1 C2 C3 -165.4(2) . . . . ?
O1 C1 C2 C8 11.2(4) . . . . ?
O1 C1 O2 Ti1 -13.9(3) . . . . ?
O2 C1 C2 C3 13.3(3) . . . . ?
O2 C1 C2 C8 -170.1(2) . . . . ?
O2 C1 O1 Ti3 -34.1(3) . . . 2_666 ?
O3 C9 C10 C11 -179.2(2) . . . . ?
O3 C9 C10 C15 1.0(4) . . . . ?
O3 C9 O4 Ti2 43.8(3) . . . . ?
O4 C9 C10 C11 2.0(3) . . . . ?
O4 C9 C10 C15 -177.7(2) . . . . ?
O4 C9 O3 Ti4 13.0(3) . . . 2_666 ?
O7 C41 C42 C43 -174.7(2) . . . . ?
O7 C41 C42 C48 9.0(3) . . . . ?
O7 C41 O15 Ti4 -2.1(3) . . . . ?
O9 C49 C50 C51 3.6(3) . . . . ?
O9 C49 C50 C54 -176.1(2) . . . . ?
O9 C49 O10 Ti2 -49.0(3) . . . . ?
O10 C49 C50 C51 -177.2(2) . . . . ?
O10 C49 C50 C54 3.2(3) . . . . ?
O10 C49 O9 Ti3 -12.4(3) . . . . ?
O11 C17 C18 C19 -172.4(2) . . . . ?
O11 C17 C18 C24 12.0(3) . . . . ?
O11 C17 O12 Ti1 -4.3(3) . . . 2_666 ?
O12 C17 C18 C19 9.1(3) . . . . ?
O12 C17 C18 C24 -166.5(2) . . . . ?
O12 C17 O11 Ti2 7.3(3) . . . . ?
O15 C41 C42 C43 6.6(3) . . . . ?
O15 C41 C42 C48 -169.7(2) . . . . ?
O15 C41 O7 Ti1 56.7(3) . . . . ?
O16 C33 C34 C35 176.8(3) . . . . ?
O16 C33 C34 C39 -4.8(5) . . . . ?
O16 C33 O17 Ag1 11.4(4) . . . . ?
O17 C33 C34 C35 -3.0(5) . . . . ?
O17 C33 C34 C39 175.4(3) . . . . ?
O17 C33 O16 Ti4 -56.9(3) . . . . ?
O18 C25 C26 C27 166.1(2) . . . . ?
O18 C25 C26 C32 -11.0(3) . . . . ?
O18 C25 O19 Ag1 -2.2(3) . . . . ?
O19 C25 C26 C27 -13.9(4) . . . . ?
O19 C25 C26 C32 169.0(2) . . . . ?
O19 C25 O18 Ti3 57.4(3) . . . . ?
P1 C57 C58 C59 -179.7(2) . . . . ?
P1 C57 C62 C61 179.40(19) . . . . ?
P1 C63 C64 C65 -176.4(3) . . . . ?
P1 C63 C68 C67 176.0(2) . . . . ?
P1 C69 C70 C71 -179.0(2) . . . . ?
P1 C69 C74 C73 179.9(2) . . . . ?
Ti1 O5 Ti2 O4 129.30(15) . . . . ?
Ti1 O5 Ti2 O6 -43.02(16) . . . 2_666 ?
Ti1 O5 Ti2 O8 38.23(16) . . . 2_666 ?
Ti1 O5 Ti2 O10 -134.13(15) . . . . ?
Ti1 O5 Ti2 Ti1 -2.81(16) . . . 2_666 ?
Ti2 O5 Ti1 O2 -131.82(15) . . . . ?
Ti2 O5 Ti1 O6 -37.98(16) . . . . ?
Ti2 O5 Ti1 O7 135.39(15) . . . . ?
Ti2 O5 Ti1 O8 43.28(16) . . . . ?
Ti2 O5 Ti1 Ti2 2.77(16) . . . 2_666 ?
Ti3 O13 Ti4 O8 -96.09(7) . . . . ?
Ti3 O13 Ti4 O14 0.23(7) . . . . ?
Ti3 O13 Ti4 O15 179.15(6) . . . . ?
Ti3 O13 Ti4 O16 98.10(7) . . . . ?
Ti3 O14 Ti4 O3 178.47(7) . . . 2_666 ?
Ti3 O14 Ti4 O8 92.11(7) . . . . ?
Ti3 O14 Ti4 O13 -0.24(7) . . . . ?
Ti3 O14 Ti4 O16 -96.35(7) . . . . ?
Ti4 O13 Ti3 O6 96.06(6) . . . 2_666 ?
Ti4 O13 Ti3 O9 -179.81(6) . . . . ?
Ti4 O13 Ti3 O14 -0.23(6) . . . . ?
Ti4 O13 Ti3 O18 -97.87(7) . . . . ?
Ti4 O14 Ti3 O1 -179.01(7) . . . 2_666 ?
Ti4 O14 Ti3 O6 -92.32(7) . . . 2_666 ?
Ti4 O14 Ti3 O13 0.23(7) . . . . ?
Ti4 O14 Ti3 O18 95.30(7) . . . . ?

# (APPEND TO CIF)
_vrf_PLAT260_1                   
;
PROBLEM:   Large Average Ueq of Residue Including         
RESPONSE: This is because the guest CH3CN molecules were disorder.
;

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_6
_database_code_depnum_ccdc_archive 'CCDC 1916933'
loop_
_audit_author_name
_audit_author_address
'Youzhu Yu'
;Anyang Institute of Technology
China
;
_audit_update_record             
;
2019-07-17 deposited with the CCDC.	2019-08-07 downloaded from the CCDC.
;
_audit_creation_date             2019-07-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C140 H112 Ag2 O38 P2 Ti8, 2(C2 H3 N)'
_chemical_formula_sum            'C144 H118 Ag2 N2 O38 P2 Ti8'
_chemical_formula_weight         3145.28
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N P Ag Ti'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2191 1.8069 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.2246(9)
_cell_length_b                   15.4590(9)
_cell_length_c                   18.8915(11)
_cell_angle_alpha                67.905(6)
_cell_angle_beta                 82.025(5)
_cell_angle_gamma                65.532(6)
_cell_volume                     3502.7(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    7061
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.0470
_cell_measurement_theta_min      4.9230
_shelx_estimated_absorpt_T_max   0.376
_shelx_estimated_absorpt_T_min   0.263
_exptl_absorpt_coefficient_mu    6.746
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.31481
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0489
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24469
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.141
_diffrn_reflns_theta_min         3.414
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0710
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     13.00  60.00   1.00    5.84    --    0.00  57.00-150.00   47
  2  ω    -68.00 -34.00   1.00    5.84    --    0.00 178.00-120.00   34
  3  ω     10.00  42.00   1.00    5.84    --    0.00 -99.00 -30.00   32
  4  ω     34.00  66.00   1.00    5.84    --    0.00  77.00 120.00   32
  5  ω    -30.00  30.00   1.00    5.84    --    0.00  77.00 120.00   60
  6  ω     27.00 124.00   1.00   23.34    --   54.94  77.00 -90.00   97
  7  ω     90.00 125.00   1.00   23.34    --   54.94 156.00 150.00   35
  8  ω     24.00 110.00   1.00   23.34    --   54.94-125.00 150.00   86
  9  ω     17.00 128.00   1.00   23.34    --   54.94  19.00  60.00  111
 10  ω     30.00  66.00   1.00   23.34    --   54.94 -57.00 -90.00   36
 11  ω     37.00  62.00   1.00   23.34    --   54.94  57.00-180.00   25
 12  ω    -13.00  70.00   1.00   23.34    --   54.94 -57.00 150.00   83
 13  ω    -12.00  24.00   1.00   23.34    --   54.94 -57.00  60.00   36
 14  ω     41.00  67.00   1.00    5.00    --  109.89-111.00 120.00   26
 15  ω     40.00 115.00   1.00    5.00    --  109.89-111.00  90.00   75
 16  ω     90.00 115.00   1.00    5.00    --  109.89-111.00-180.00   25
 17  ω     40.00 133.00   1.00    5.00    --  109.89 -38.00 -90.00   93
 18  ω     98.00 133.00   1.00    5.00    --  109.89 -77.00 -90.00   35
 19  ω     43.00 135.00   1.00    5.00    --  109.89 -38.00  60.00   92
 20  ω     63.00 101.00   1.00    5.00    --  109.89-111.00 -90.00   38
 21  ω    113.00 139.00   1.00    5.00    --  109.89 111.00-120.00   26
 22  ω    102.00 128.00   1.00    5.00    --  109.89 111.00 150.00   26
 23  ω    136.00 177.00   1.00    5.00    --  109.89  64.00-150.00   41
 24  ω     48.00 130.00   1.00    5.00    --  109.89 -50.00-180.00   82
 25  ω     63.00 105.00   1.00    5.00    --  109.89-111.00   0.00   42
 26  ω     88.00 128.00   1.00    5.00    --  109.89  64.00-150.00   40
 27  ω     56.00 131.00   1.00    5.00    --  109.89 -77.00  90.00   75
 28  ω     56.00  91.00   1.00    5.00    --  109.89 -77.00 -90.00   35
 29  ω     38.00 176.00   1.00    5.00    --  109.89  12.00 -30.00  138
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0548186000
_diffrn_orient_matrix_UB_12      -0.1079054000
_diffrn_orient_matrix_UB_13      0.0578876000
_diffrn_orient_matrix_UB_21      0.0257484000
_diffrn_orient_matrix_UB_22      -0.0428413000
_diffrn_orient_matrix_UB_23      -0.0651230000
_diffrn_orient_matrix_UB_31      0.1024505000
_diffrn_orient_matrix_UB_32      0.0148637000
_diffrn_orient_matrix_UB_33      -0.0125386000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10810
_reflns_number_total             13449
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.920
_refine_diff_density_min         -1.076
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     875
_refine_ls_number_reflns         13449
_refine_ls_number_restraints     79
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0506
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0702P)²+2.7852P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1316
_refine_ls_wR_factor_ref         0.1434
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N1-C71
 1.15 with sigma of 0.01
 C71-C72
 1.47 with sigma of 0.01
3. Rigid bond restraints
 C4, C5
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C3, C4
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C5, C6
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C54, C56
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C51, C52
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(O14) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C32)
\\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C67) \\sim Ueq,
Uanis(C2) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C71)
\\sim Ueq, Uanis(N1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms
of 0.01
5.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33),
 C34(H34), C35(H35), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42), C44(H44),
  C46(H46), C47(H47), C48(H48), C51(H51), C52(H52), C53(H53), C55(H55),
 C58(H58), C60(H60), C61(H61), C62(H62), C66(H66), C67(H67), C68(H68), C69(H69),
  C70(H70)
5.b Fitted hexagon refined as free rotating group:
 C30(C31,C32,C33,C34,C35)
5.c Idealised Me refined as rotating group:
 C49(H49A,H49B,H49C), C56(H56A,H56B,H56C), C63(H63A,H63B,H63C), C72(H72A,H72B,
 H72C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.56045(2) 0.41008(3) 0.30236(2) 0.05860(12) Uani 1 1 d . . . . .
C1 C 0.6353(3) 0.6007(3) 0.2592(2) 0.0502(10) Uani 1 1 d . . . . .
C2 C 0.6849(4) 0.6595(4) 0.2754(2) 0.0563(11) Uani 1 1 d . U . . .
C3 C 0.6689(5) 0.7552(5) 0.2273(4) 0.0816(17) Uani 1 1 d . U . . .
H3 H 0.6270 0.7842 0.1839 0.098 Uiso 1 1 calc R . . . .
C4 C 0.7157(7) 0.8108(6) 0.2429(5) 0.113(2) Uani 1 1 d . U . . .
H4 H 0.7028 0.8777 0.2116 0.136 Uiso 1 1 calc R . . . .
C5 C 0.7794(8) 0.7648(9) 0.3042(7) 0.134(3) Uani 1 1 d . U . . .
H5 H 0.8121 0.8006 0.3135 0.161 Uiso 1 1 calc R . . . .
C6 C 0.7983(6) 0.6691(9) 0.3529(5) 0.130(3) Uani 1 1 d . U . . .
H6 H 0.8433 0.6399 0.3945 0.156 Uiso 1 1 calc R . . . .
C7 C 0.7494(5) 0.6149(6) 0.3397(4) 0.098(2) Uani 1 1 d . . . . .
H7 H 0.7597 0.5496 0.3733 0.117 Uiso 1 1 calc R . . . .
C8 C 0.8065(3) 0.3426(3) 0.2781(2) 0.0464(9) Uani 1 1 d . . . . .
C9 C 0.8990(3) 0.3293(3) 0.3155(2) 0.0508(10) Uani 1 1 d . . . . .
C10 C 0.9563(4) 0.3870(4) 0.2802(3) 0.0715(14) Uani 1 1 d . . . . .
H10 H 0.9389 0.4340 0.2308 0.086 Uiso 1 1 calc R . . . .
C11 C 1.0395(5) 0.3747(6) 0.3185(4) 0.102(2) Uani 1 1 d . . . . .
H11 H 1.0772 0.4144 0.2948 0.123 Uiso 1 1 calc R . . . .
C12 C 1.0672(5) 0.3054(7) 0.3903(4) 0.113(3) Uani 1 1 d . . . . .
H12 H 1.1227 0.2988 0.4157 0.135 Uiso 1 1 calc R . . . .
C13 C 1.0133(5) 0.2459(6) 0.4249(4) 0.107(2) Uani 1 1 d . . . . .
H13 H 1.0335 0.1970 0.4734 0.129 Uiso 1 1 calc R . . . .
C14 C 0.9286(4) 0.2579(4) 0.3881(3) 0.0751(15) Uani 1 1 d . . . . .
H14 H 0.8913 0.2179 0.4124 0.090 Uiso 1 1 calc R . . . .
C15 C 0.6675(3) 0.2196(3) 0.2089(2) 0.0408(8) Uani 1 1 d . . . . .
C16 C 0.6925(3) 0.1212(3) 0.2745(2) 0.0480(10) Uani 1 1 d . . . . .
C17 C 0.7903(4) 0.0707(4) 0.3076(3) 0.0684(13) Uani 1 1 d . . . . .
H17 H 0.8402 0.0976 0.2892 0.082 Uiso 1 1 calc R . . . .
C18 C 0.8132(5) -0.0203(4) 0.3686(3) 0.0841(17) Uani 1 1 d . . . . .
H18 H 0.8794 -0.0556 0.3902 0.101 Uiso 1 1 calc R . . . .
C19 C 0.7398(6) -0.0582(4) 0.3970(3) 0.095(2) Uani 1 1 d . . . . .
H19 H 0.7555 -0.1181 0.4392 0.114 Uiso 1 1 calc R . . . .
C20 C 0.6425(5) -0.0092(4) 0.3641(3) 0.0899(18) Uani 1 1 d . . . . .
H20 H 0.5930 -0.0366 0.3828 0.108 Uiso 1 1 calc R . . . .
C21 C 0.6190(4) 0.0821(4) 0.3023(3) 0.0661(13) Uani 1 1 d . . . . .
H21 H 0.5532 0.1165 0.2801 0.079 Uiso 1 1 calc R . . . .
C22 C 0.7303(3) 0.1977(3) 0.0125(2) 0.0385(8) Uani 1 1 d . . . . .
C23 C 0.8015(3) 0.0945(3) 0.0125(2) 0.0458(9) Uani 1 1 d . . . . .
C24 C 0.8104(4) 0.0095(3) 0.0759(3) 0.0650(13) Uani 1 1 d . . . . .
H24 H 0.7743 0.0165 0.1197 0.078 Uiso 1 1 calc R . . . .
C25 C 0.8731(5) -0.0867(4) 0.0744(4) 0.0861(18) Uani 1 1 d . . . . .
H25 H 0.8793 -0.1441 0.1173 0.103 Uiso 1 1 calc R . . . .
C26 C 0.9263(5) -0.0966(4) 0.0090(4) 0.0926(19) Uani 1 1 d . . . . .
H26 H 0.9682 -0.1609 0.0080 0.111 Uiso 1 1 calc R . . . .
C27 C 0.9179(4) -0.0135(4) -0.0537(4) 0.0854(17) Uani 1 1 d . . . . .
H27 H 0.9537 -0.0213 -0.0974 0.103 Uiso 1 1 calc R . . . .
C28 C 0.8559(4) 0.0841(3) -0.0531(3) 0.0620(12) Uani 1 1 d . . . . .
H28 H 0.8511 0.1411 -0.0959 0.074 Uiso 1 1 calc R . . . .
C29 C 0.4461(3) 0.2171(3) 0.0247(2) 0.0387(8) Uani 1 1 d . . . . .
C30 C 0.4204(2) 0.12596(19) 0.05823(15) 0.0455(9) Uani 1 1 d . U . . .
C31 C 0.4345(3) 0.0706(3) 0.13616(15) 0.0853(18) Uani 1 1 d G . . . .
H31 H 0.4593 0.0910 0.1675 0.102 Uiso 1 1 calc R . . . .
C32 C 0.4116(4) -0.0153(3) 0.16721(16) 0.118(2) Uani 1 1 d G U . . .
H32 H 0.4210 -0.0523 0.2194 0.141 Uiso 1 1 calc R . . . .
C33 C 0.3746(4) -0.0458(3) 0.1203(2) 0.112(2) Uani 1 1 d G . . . .
H33 H 0.3593 -0.1032 0.1411 0.134 Uiso 1 1 calc R . . . .
C34 C 0.3605(3) 0.0096(3) 0.0424(2) 0.0925(19) Uani 1 1 d G . . . .
H34 H 0.3358 -0.0108 0.0110 0.111 Uiso 1 1 calc R . . . .
C35 C 0.3834(3) 0.0955(2) 0.01135(14) 0.0678(13) Uani 1 1 d G . . . .
H35 H 0.3740 0.1325 -0.0408 0.081 Uiso 1 1 calc R . . . .
C36 C 0.1443(3) 0.6028(3) 0.0068(2) 0.0380(8) Uani 1 1 d . . . . .
C37 C 0.0378(3) 0.6154(3) 0.0342(2) 0.0373(8) Uani 1 1 d . . . . .
C38 C -0.0355(3) 0.6241(4) -0.0116(3) 0.0570(11) Uani 1 1 d . . . . .
H38 H -0.0184 0.6215 -0.0603 0.068 Uiso 1 1 calc R . . . .
C39 C -0.1349(3) 0.6369(4) 0.0147(3) 0.0686(13) Uani 1 1 d . . . . .
H39 H -0.1839 0.6416 -0.0160 0.082 Uiso 1 1 calc R . . . .
C40 C -0.1605(3) 0.6426(4) 0.0855(3) 0.0626(12) Uani 1 1 d . . . . .
H40 H -0.2273 0.6519 0.1028 0.075 Uiso 1 1 calc R . . . .
C41 C -0.0886(3) 0.6348(4) 0.1310(3) 0.0603(12) Uani 1 1 d . . . . .
H41 H -0.1071 0.6402 0.1788 0.072 Uiso 1 1 calc R . . . .
C42 C 0.0119(3) 0.6187(3) 0.1064(2) 0.0485(9) Uani 1 1 d . . . . .
H42 H 0.0615 0.6103 0.1386 0.058 Uiso 1 1 calc R . . . .
C43 C 0.5257(4) 0.2505(3) 0.4780(2) 0.0570(11) Uani 1 1 d . . . . .
C44 C 0.6283(4) 0.1906(3) 0.4739(2) 0.0588(11) Uani 1 1 d . . . . .
H44 H 0.6582 0.1956 0.4263 0.071 Uiso 1 1 calc R . . . .
C45 C 0.6884(4) 0.1224(4) 0.5400(3) 0.0679(13) Uani 1 1 d . . . . .
C46 C 0.6421(6) 0.1185(5) 0.6098(3) 0.0894(18) Uani 1 1 d . . . . .
H46 H 0.6804 0.0741 0.6545 0.107 Uiso 1 1 calc R . . . .
C47 C 0.5404(6) 0.1790(5) 0.6141(3) 0.102(2) Uani 1 1 d . U . . .
H47 H 0.5109 0.1753 0.6617 0.122 Uiso 1 1 calc R . . . .
C48 C 0.4813(5) 0.2453(5) 0.5489(3) 0.0838(17) Uani 1 1 d . . . . .
H48 H 0.4124 0.2861 0.5524 0.101 Uiso 1 1 calc R . . . .
C49 C 0.7998(5) 0.0598(5) 0.5340(4) 0.100(2) Uani 1 1 d . . . . .
H49A H 0.8127 -0.0109 0.5593 0.150 Uiso 1 1 calc GR . . . .
H49B H 0.8413 0.0776 0.5576 0.150 Uiso 1 1 calc GR . . . .
H49C H 0.8171 0.0725 0.4811 0.150 Uiso 1 1 calc GR . . . .
C50 C 0.3446(4) 0.4315(4) 0.4183(3) 0.0674(13) Uani 1 1 d . . . . .
C51 C 0.2448(5) 0.4353(6) 0.4213(4) 0.109(2) Uani 1 1 d . U . . .
H51 H 0.2326 0.3888 0.4079 0.131 Uiso 1 1 calc R . . . .
C52 C 0.1631(7) 0.5076(8) 0.4441(6) 0.141(3) Uani 1 1 d . U . . .
H52 H 0.0961 0.5111 0.4453 0.170 Uiso 1 1 calc R . . . .
C53 C 0.1838(6) 0.5713(7) 0.4641(5) 0.120(3) Uani 1 1 d . . . . .
H53 H 0.1287 0.6193 0.4794 0.144 Uiso 1 1 calc R . . . .
C54 C 0.2780(7) 0.5725(5) 0.4642(4) 0.0979(19) Uani 1 1 d . U . . .
C55 C 0.3629(5) 0.4998(4) 0.4372(3) 0.0797(16) Uani 1 1 d . . . . .
H55 H 0.4287 0.5000 0.4330 0.096 Uiso 1 1 calc R . . . .
C56 C 0.3001(8) 0.6414(7) 0.4867(5) 0.150(3) Uani 1 1 d . U . . .
H56A H 0.2426 0.7060 0.4729 0.225 Uiso 1 1 calc GR . . . .
H56B H 0.3607 0.6498 0.4613 0.225 Uiso 1 1 calc GR . . . .
H56C H 0.3118 0.6143 0.5410 0.225 Uiso 1 1 calc GR . . . .
C57 C 0.3986(3) 0.2691(3) 0.3620(2) 0.0556(11) Uani 1 1 d . . . . .
C58 C 0.3550(3) 0.3115(3) 0.2890(2) 0.0561(11) Uani 1 1 d . . . . .
H58 H 0.3571 0.3727 0.2555 0.067 Uiso 1 1 calc R . . . .
C59 C 0.3081(4) 0.2630(4) 0.2656(3) 0.0651(12) Uani 1 1 d . . . . .
C60 C 0.3101(5) 0.1708(5) 0.3163(3) 0.0809(16) Uani 1 1 d . . . . .
H60 H 0.2800 0.1369 0.3015 0.097 Uiso 1 1 calc R . . . .
C61 C 0.3545(5) 0.1276(4) 0.3872(4) 0.0861(17) Uani 1 1 d . . . . .
H61 H 0.3550 0.0649 0.4196 0.103 Uiso 1 1 calc R . . . .
C62 C 0.3987(4) 0.1761(4) 0.4113(3) 0.0726(14) Uani 1 1 d . . . . .
H62 H 0.4282 0.1470 0.4600 0.087 Uiso 1 1 calc R . . . .
C63 C 0.2562(4) 0.3119(5) 0.1883(3) 0.0806(16) Uani 1 1 d . . . . .
H63A H 0.1837 0.3484 0.1929 0.121 Uiso 1 1 calc GR . . . .
H63B H 0.2662 0.2604 0.1680 0.121 Uiso 1 1 calc GR . . . .
H63C H 0.2857 0.3580 0.1545 0.121 Uiso 1 1 calc GR . . . .
C64 C 0.3450(3) 0.6323(3) 0.18737(19) 0.0407(8) Uani 1 1 d . . . . .
C65 C 0.2570(3) 0.6837(3) 0.2303(2) 0.0500(10) Uani 1 1 d . . . . .
C66 C 0.1670(4) 0.6692(5) 0.2353(3) 0.0841(17) Uani 1 1 d . . . . .
H66 H 0.1639 0.6217 0.2177 0.101 Uiso 1 1 calc R . . . .
C67 C 0.0807(5) 0.7261(7) 0.2667(5) 0.120(3) Uani 1 1 d . U . . .
H67 H 0.0193 0.7173 0.2696 0.144 Uiso 1 1 calc R . . . .
C68 C 0.0857(6) 0.7950(7) 0.2933(5) 0.129(3) Uani 1 1 d . . . . .
H68 H 0.0273 0.8342 0.3131 0.154 Uiso 1 1 calc R . . . .
C69 C 0.1754(6) 0.8059(5) 0.2909(4) 0.107(2) Uani 1 1 d . . . . .
H69 H 0.1790 0.8512 0.3107 0.128 Uiso 1 1 calc R . . . .
C70 C 0.2617(4) 0.7509(4) 0.2596(3) 0.0685(13) Uani 1 1 d . . . . .
H70 H 0.3232 0.7591 0.2582 0.082 Uiso 1 1 calc R . . . .
C71 C 0.0585(8) 0.1005(7) 0.2474(6) 0.138(3) Uani 1 1 d D U . . .
C72 C 0.0423(11) 0.1823(8) 0.1765(6) 0.213(6) Uani 1 1 d D . . . .
H72A H -0.0120 0.1876 0.1480 0.319 Uiso 1 1 calc GR . . . .
H72B H 0.1048 0.1700 0.1479 0.319 Uiso 1 1 calc GR . . . .
H72C H 0.0232 0.2444 0.1856 0.319 Uiso 1 1 calc GR . . . .
N1 N 0.0501(9) 0.0401(8) 0.3040(6) 0.205(4) Uani 1 1 d D U . . .
O1 O 0.45790(19) 0.25388(19) 0.07095(14) 0.0415(6) Uani 1 1 d . . . . .
O2 O 0.66047(18) 0.20289(18) 0.06104(14) 0.0409(6) Uani 1 1 d . . . . .
O3 O 0.57737(18) 0.26174(19) 0.17925(13) 0.0412(6) Uani 1 1 d . . . . .
O4 O 0.7338(2) 0.25725(19) 0.18652(15) 0.0461(6) Uani 1 1 d . . . . .
O5 O 0.63604(16) 0.39504(16) 0.05077(12) 0.0306(5) Uani 1 1 d . . . . .
O6 O 0.42373(16) 0.43452(16) 0.08641(12) 0.0320(5) Uani 1 1 d . . . . .
O7 O 0.21551(17) 0.56356(19) 0.05681(14) 0.0397(6) Uani 1 1 d . . . . .
O8 O 0.84157(18) 0.3698(2) 0.06434(14) 0.0443(6) Uani 1 1 d . . . . .
O9 O 0.7443(2) 0.3090(3) 0.31681(17) 0.0641(8) Uani 1 1 d . . . . .
O10 O 0.79827(19) 0.3899(2) 0.20456(14) 0.0473(6) Uani 1 1 d . . . . .
O11 O 0.46539(16) 0.61276(16) 0.04133(12) 0.0303(5) Uani 1 1 d . . . . .
O12 O 0.58539(17) 0.46531(18) 0.17276(12) 0.0342(5) Uani 1 1 d . . . . .
O13 O 0.67923(17) 0.54635(18) 0.07015(12) 0.0348(5) Uani 1 1 d . . . . .
O14 O 0.6184(3) 0.5323(3) 0.31090(18) 0.0781(10) Uani 1 1 d . U . . .
O15 O 0.6160(2) 0.6273(2) 0.18860(14) 0.0478(6) Uani 1 1 d . . . . .
O16 O 0.5455(2) 0.74776(19) 0.04593(14) 0.0437(6) Uani 1 1 d . . . . .
O17 O 0.4210(2) 0.6564(2) 0.17499(15) 0.0461(6) Uani 1 1 d . . . . .
O18 O 0.33761(19) 0.56762(19) 0.16461(13) 0.0396(6) Uani 1 1 d . . . . .
O19 O 0.25647(18) 0.72601(18) 0.03687(14) 0.0393(6) Uani 1 1 d . . . . .
P1 P 0.45440(9) 0.33973(9) 0.38924(6) 0.0512(3) Uani 1 1 d . . . . .
Ti1 Ti 0.70690(5) 0.41254(5) 0.12536(3) 0.03461(15) Uani 1 1 d . . . . .
Ti2 Ti 0.53653(4) 0.33443(4) 0.06907(3) 0.03036(14) Uani 1 1 d . . . . .
Ti3 Ti 0.35211(4) 0.57039(4) 0.05759(3) 0.02975(14) Uani 1 1 d . . . . .
Ti4 Ti 0.55854(5) 0.60101(5) 0.11612(3) 0.03451(15) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O9 2.418(3) . ?
Ag1 O12 2.299(2) . ?
Ag1 O14 2.414(3) . ?
Ag1 P1 2.3412(10) . ?
C1 C2 1.490(6) . ?
C1 O14 1.224(5) . ?
C1 O15 1.272(5) . ?
C2 C3 1.353(7) . ?
C2 C7 1.395(7) . ?
C3 C4 1.411(9) . ?
C4 C5 1.343(12) . ?
C5 C6 1.349(12) . ?
C6 C7 1.392(9) . ?
C8 C9 1.482(5) . ?
C8 O9 1.227(5) . ?
C8 O10 1.299(5) . ?
C9 C10 1.382(7) . ?
C9 C14 1.383(6) . ?
C10 C11 1.381(7) . ?
C11 C12 1.359(10) . ?
C12 C13 1.362(10) . ?
C13 C14 1.386(8) . ?
C15 C16 1.494(5) . ?
C15 O3 1.271(4) . ?
C15 O4 1.251(4) . ?
C16 C17 1.382(6) . ?
C16 C21 1.366(6) . ?
C17 C18 1.385(7) . ?
C18 C19 1.354(9) . ?
C19 C20 1.376(9) . ?
C20 C21 1.395(7) . ?
C22 C23 1.494(5) . ?
C22 O2 1.253(4) . ?
C22 O19 1.267(4) 2_665 ?
C23 C24 1.378(6) . ?
C23 C28 1.394(6) . ?
C24 C25 1.390(7) . ?
C25 C26 1.382(8) . ?
C26 C27 1.355(8) . ?
C27 C28 1.400(7) . ?
C29 C30 1.487(4) . ?
C29 O1 1.267(4) . ?
C29 O16 1.247(4) 2_665 ?
C30 C31 1.3900 . ?
C30 C35 1.3900 . ?
C31 C32 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C36 C37 1.488(5) . ?
C36 O7 1.270(4) . ?
C36 O8 1.262(4) 2_665 ?
C37 C38 1.377(5) . ?
C37 C42 1.379(5) . ?
C38 C39 1.391(6) . ?
C39 C40 1.362(7) . ?
C40 C41 1.365(6) . ?
C41 C42 1.390(5) . ?
C43 C44 1.377(6) . ?
C43 C48 1.387(6) . ?
C43 P1 1.821(4) . ?
C44 C45 1.402(6) . ?
C45 C46 1.381(8) . ?
C45 C49 1.491(8) . ?
C46 C47 1.370(9) . ?
C47 C48 1.378(8) . ?
C50 C51 1.390(8) . ?
C50 C55 1.359(8) . ?
C50 P1 1.808(5) . ?
C51 C52 1.390(10) . ?
C52 C53 1.322(11) . ?
C53 C54 1.348(10) . ?
C54 C55 1.455(9) . ?
C54 C56 1.438(10) . ?
C57 C58 1.391(6) . ?
C57 C62 1.387(6) . ?
C57 P1 1.828(5) . ?
C58 C59 1.394(7) . ?
C59 C60 1.378(7) . ?
C59 C63 1.503(7) . ?
C60 C61 1.362(8) . ?
C61 C62 1.374(8) . ?
C64 C65 1.496(5) . ?
C64 O17 1.248(4) . ?
C64 O18 1.273(4) . ?
C65 C66 1.373(7) . ?
C65 C70 1.373(6) . ?
C66 C67 1.389(8) . ?
C67 C68 1.366(11) . ?
C68 C69 1.347(10) . ?
C69 C70 1.377(8) . ?
C71 C72 1.420(8) . ?
C71 N1 1.156(8) . ?
O1 Ti2 1.978(2) . ?
O2 Ti2 2.110(2) . ?
O3 Ti2 1.992(2) . ?
O4 Ti1 2.126(3) . ?
O5 Ti1 1.995(2) . ?
O5 Ti2 1.929(2) . ?
O5 Ti3 1.913(2) 2_665 ?
O6 Ti2 1.804(2) . ?
O6 Ti3 1.808(2) . ?
O7 Ti3 1.991(2) . ?
O8 C36 1.262(4) 2_665 ?
O8 Ti1 2.085(2) . ?
O10 Ti1 1.954(2) . ?
O11 Ti2 1.932(2) 2_665 ?
O11 Ti3 1.925(2) . ?
O11 Ti4 1.978(2) . ?
O12 Ti1 1.846(2) . ?
O12 Ti4 1.858(2) . ?
O13 Ti1 1.827(2) . ?
O13 Ti4 1.831(2) . ?
O15 Ti4 1.926(3) . ?
O16 C29 1.247(4) 2_665 ?
O16 Ti4 2.097(2) . ?
O17 Ti4 2.127(3) . ?
O18 Ti3 1.990(2) . ?
O19 C22 1.267(4) 2_665 ?
O19 Ti3 2.126(2) . ?
Ti2 O11 1.932(2) 2_665 ?
Ti2 Ti3 2.9377(8) 2_665 ?
Ti3 O5 1.913(2) 2_665 ?
Ti3 Ti2 2.9377(8) 2_665 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O12 Ag1 O9 87.19(9) . . ?
O12 Ag1 O14 88.77(9) . . ?
O12 Ag1 P1 138.85(6) . . ?
O14 Ag1 O9 80.65(13) . . ?
P1 Ag1 O9 116.63(8) . . ?
P1 Ag1 O14 126.10(9) . . ?
O14 C1 C2 120.8(4) . . ?
O14 C1 O15 125.4(4) . . ?
O15 C1 C2 113.8(4) . . ?
C3 C2 C1 120.1(5) . . ?
C3 C2 C7 120.2(5) . . ?
C7 C2 C1 119.7(5) . . ?
C2 C3 C4 120.0(7) . . ?
C5 C4 C3 118.3(8) . . ?
C4 C5 C6 123.4(8) . . ?
C5 C6 C7 118.8(8) . . ?
C6 C7 C2 119.3(7) . . ?
O9 C8 C9 119.5(4) . . ?
O9 C8 O10 124.5(4) . . ?
O10 C8 C9 115.9(3) . . ?
C10 C9 C8 121.8(4) . . ?
C10 C9 C14 118.8(4) . . ?
C14 C9 C8 119.4(4) . . ?
C11 C10 C9 119.7(5) . . ?
C12 C11 C10 121.1(6) . . ?
C11 C12 C13 119.8(6) . . ?
C12 C13 C14 120.2(6) . . ?
C9 C14 C13 120.3(6) . . ?
O3 C15 C16 117.0(3) . . ?
O4 C15 C16 119.8(3) . . ?
O4 C15 O3 123.3(3) . . ?
C17 C16 C15 119.4(4) . . ?
C21 C16 C15 120.4(4) . . ?
C21 C16 C17 120.2(4) . . ?
C16 C17 C18 119.3(5) . . ?
C19 C18 C17 120.5(5) . . ?
C18 C19 C20 120.8(5) . . ?
C19 C20 C21 119.1(6) . . ?
C16 C21 C20 120.1(5) . . ?
O2 C22 C23 117.6(3) . . ?
O2 C22 O19 124.4(3) . 2_665 ?
O19 C22 C23 118.1(3) 2_665 . ?
C24 C23 C22 120.3(4) . . ?
C24 C23 C28 119.9(4) . . ?
C28 C23 C22 119.7(4) . . ?
C23 C24 C25 120.2(5) . . ?
C26 C25 C24 119.7(5) . . ?
C27 C26 C25 120.6(5) . . ?
C26 C27 C28 120.6(5) . . ?
C23 C28 C27 119.1(5) . . ?
O1 C29 C30 116.8(3) . . ?
O16 C29 C30 118.7(3) 2_665 . ?
O16 C29 O1 124.5(3) 2_665 . ?
C31 C30 C29 120.1(2) . . ?
C31 C30 C35 120.0 . . ?
C35 C30 C29 119.9(2) . . ?
C32 C31 C30 120.0 . . ?
C33 C32 C31 120.0 . . ?
C32 C33 C34 120.0 . . ?
C35 C34 C33 120.0 . . ?
C34 C35 C30 120.0 . . ?
O7 C36 C37 117.7(3) . . ?
O8 C36 C37 118.2(3) 2_665 . ?
O8 C36 O7 124.2(3) 2_665 . ?
C38 C37 C36 121.1(4) . . ?
C38 C37 C42 119.5(3) . . ?
C42 C37 C36 119.4(3) . . ?
C37 C38 C39 120.3(4) . . ?
C40 C39 C38 119.9(4) . . ?
C39 C40 C41 120.2(4) . . ?
C40 C41 C42 120.6(4) . . ?
C37 C42 C41 119.5(4) . . ?
C44 C43 C48 119.6(4) . . ?
C44 C43 P1 118.3(3) . . ?
C48 C43 P1 122.0(4) . . ?
C43 C44 C45 121.3(4) . . ?
C44 C45 C49 120.2(5) . . ?
C46 C45 C44 117.8(5) . . ?
C46 C45 C49 122.0(5) . . ?
C47 C46 C45 121.0(5) . . ?
C46 C47 C48 120.9(5) . . ?
C47 C48 C43 119.3(5) . . ?
C51 C50 P1 123.4(5) . . ?
C55 C50 C51 119.8(5) . . ?
C55 C50 P1 116.8(4) . . ?
C50 C51 C52 121.0(8) . . ?
C53 C52 C51 117.8(9) . . ?
C52 C53 C54 125.5(7) . . ?
C53 C54 C55 116.8(6) . . ?
C53 C54 C56 125.2(8) . . ?
C56 C54 C55 118.0(8) . . ?
C50 C55 C54 119.0(6) . . ?
C58 C57 P1 117.8(3) . . ?
C62 C57 C58 119.9(4) . . ?
C62 C57 P1 122.3(4) . . ?
C57 C58 C59 120.6(4) . . ?
C58 C59 C63 120.4(5) . . ?
C60 C59 C58 117.6(5) . . ?
C60 C59 C63 122.0(5) . . ?
C61 C60 C59 122.2(5) . . ?
C60 C61 C62 120.5(5) . . ?
C61 C62 C57 119.2(5) . . ?
O17 C64 C65 118.1(4) . . ?
O17 C64 O18 123.8(3) . . ?
O18 C64 C65 118.1(3) . . ?
C66 C65 C64 119.0(4) . . ?
C66 C65 C70 119.6(4) . . ?
C70 C65 C64 121.2(4) . . ?
C65 C66 C67 119.4(6) . . ?
C68 C67 C66 120.3(7) . . ?
C69 C68 C67 119.9(6) . . ?
C68 C69 C70 120.8(6) . . ?
C65 C70 C69 119.9(6) . . ?
N1 C71 C72 165.9(14) . . ?
C29 O1 Ti2 134.3(2) . . ?
C22 O2 Ti2 127.8(2) . . ?
C15 O3 Ti2 128.0(2) . . ?
C15 O4 Ti1 127.2(2) . . ?
Ti2 O5 Ti1 129.20(11) . . ?
Ti3 O5 Ti1 131.03(11) 2_665 . ?
Ti3 O5 Ti2 99.75(10) 2_665 . ?
Ti2 O6 Ti3 145.09(13) . . ?
C36 O7 Ti3 134.3(2) . . ?
C36 O8 Ti1 130.2(2) 2_665 . ?
C8 O9 Ag1 121.4(3) . . ?
C8 O10 Ti1 133.8(2) . . ?
Ti2 O11 Ti4 130.72(11) 2_665 . ?
Ti3 O11 Ti2 99.22(10) . 2_665 ?
Ti3 O11 Ti4 130.03(11) . . ?
Ti1 O12 Ag1 124.98(11) . . ?
Ti1 O12 Ti4 96.19(10) . . ?
Ti4 O12 Ag1 121.78(11) . . ?
Ti1 O13 Ti4 97.81(10) . . ?
C1 O14 Ag1 128.8(3) . . ?
C1 O15 Ti4 144.1(3) . . ?
C29 O16 Ti4 129.2(2) 2_665 . ?
C64 O17 Ti4 128.8(2) . . ?
C64 O18 Ti3 126.0(2) . . ?
C22 O19 Ti3 126.9(2) 2_665 . ?
C43 P1 Ag1 110.19(15) . . ?
C43 P1 C57 104.7(2) . . ?
C50 P1 Ag1 113.87(18) . . ?
C50 P1 C43 104.2(2) . . ?
C50 P1 C57 104.1(2) . . ?
C57 P1 Ag1 118.51(14) . . ?
O5 Ti1 O4 83.05(10) . . ?
O5 Ti1 O8 87.41(10) . . ?
O8 Ti1 O4 90.29(11) . . ?
O10 Ti1 O4 83.05(11) . . ?
O10 Ti1 O5 164.27(11) . . ?
O10 Ti1 O8 85.32(11) . . ?
O12 Ti1 O4 96.15(11) . . ?
O12 Ti1 O5 93.08(9) . . ?
O12 Ti1 O8 173.55(11) . . ?
O12 Ti1 O10 95.70(11) . . ?
O13 Ti1 O4 177.35(10) . . ?
O13 Ti1 O5 94.41(10) . . ?
O13 Ti1 O8 90.33(10) . . ?
O13 Ti1 O10 99.56(11) . . ?
O13 Ti1 O12 83.22(10) . . ?
O1 Ti2 O2 80.85(10) . . ?
O1 Ti2 O3 93.87(11) . . ?
O1 Ti2 Ti3 129.15(8) . 2_665 ?
O2 Ti2 Ti3 80.42(7) . 2_665 ?
O3 Ti2 O2 81.07(10) . . ?
O3 Ti2 Ti3 128.83(7) . 2_665 ?
O5 Ti2 O1 165.36(10) . . ?
O5 Ti2 O2 86.74(10) . . ?
O5 Ti2 O3 91.84(10) . . ?
O5 Ti2 O11 79.71(9) . 2_665 ?
O5 Ti2 Ti3 39.93(6) . 2_665 ?
O6 Ti2 O1 93.23(10) . . ?
O6 Ti2 O2 171.79(10) . . ?
O6 Ti2 O3 93.73(10) . . ?
O6 Ti2 O5 99.84(10) . . ?
O6 Ti2 O11 99.68(10) . 2_665 ?
O6 Ti2 Ti3 107.78(7) . 2_665 ?
O11 Ti2 O1 91.69(10) 2_665 . ?
O11 Ti2 O2 86.25(9) 2_665 . ?
O11 Ti2 O3 165.16(10) 2_665 . ?
O11 Ti2 Ti3 40.30(6) 2_665 2_665 ?
O5 Ti3 O7 92.43(10) 2_665 . ?
O5 Ti3 O11 80.28(9) 2_665 . ?
O5 Ti3 O18 166.40(10) 2_665 . ?
O5 Ti3 O19 87.60(10) 2_665 . ?
O5 Ti3 Ti2 40.32(6) 2_665 2_665 ?
O6 Ti3 O5 98.92(10) . 2_665 ?
O6 Ti3 O7 94.44(10) . . ?
O6 Ti3 O11 99.46(10) . . ?
O6 Ti3 O18 93.09(10) . . ?
O6 Ti3 O19 172.47(10) . . ?
O6 Ti3 Ti2 107.13(7) . 2_665 ?
O7 Ti3 O19 81.45(10) . . ?
O7 Ti3 Ti2 129.52(7) . 2_665 ?
O11 Ti3 O7 165.13(10) . . ?
O11 Ti3 O18 91.53(10) . . ?
O11 Ti3 O19 85.28(9) . . ?
O11 Ti3 Ti2 40.48(6) . 2_665 ?
O18 Ti3 O7 92.98(10) . . ?
O18 Ti3 O19 80.88(10) . . ?
O18 Ti3 Ti2 129.41(8) . 2_665 ?
O19 Ti3 Ti2 80.28(7) . 2_665 ?
O11 Ti4 O16 86.47(10) . . ?
O11 Ti4 O17 85.11(10) . . ?
O12 Ti4 O11 94.72(10) . . ?
O12 Ti4 O15 97.11(11) . . ?
O12 Ti4 O16 173.04(11) . . ?
O12 Ti4 O17 94.11(10) . . ?
O13 Ti4 O11 96.27(10) . . ?
O13 Ti4 O12 82.78(10) . . ?
O13 Ti4 O15 97.60(11) . . ?
O13 Ti4 O16 90.28(10) . . ?
O13 Ti4 O17 176.68(11) . . ?
O15 Ti4 O11 162.77(11) . . ?
O15 Ti4 O16 83.31(11) . . ?
O15 Ti4 O17 81.60(11) . . ?
O16 Ti4 O17 92.82(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 O12 Ti1 O4 46.29(15) . . . . ?
Ag1 O12 Ti1 O5 129.62(13) . . . . ?
Ag1 O12 Ti1 O10 -37.31(15) . . . . ?
Ag1 O12 Ti1 O13 -136.30(14) . . . . ?
Ag1 O12 Ti4 O11 -126.01(12) . . . . ?
Ag1 O12 Ti4 O13 138.25(13) . . . . ?
Ag1 O12 Ti4 O15 41.44(14) . . . . ?
Ag1 O12 Ti4 O17 -40.59(13) . . . . ?
C1 C2 C3 C4 179.8(5) . . . . ?
C1 C2 C7 C6 177.7(6) . . . . ?
C2 C1 O14 Ag1 -171.3(3) . . . . ?
C2 C1 O15 Ti4 -179.8(3) . . . . ?
C2 C3 C4 C5 3.0(10) . . . . ?
C3 C2 C7 C6 -1.1(9) . . . . ?
C3 C4 C5 C6 -2.1(14) . . . . ?
C4 C5 C6 C7 -0.3(14) . . . . ?
C5 C6 C7 C2 2.0(11) . . . . ?
C7 C2 C3 C4 -1.4(8) . . . . ?
C8 C9 C10 C11 177.4(5) . . . . ?
C8 C9 C14 C13 -178.5(5) . . . . ?
C9 C8 O9 Ag1 133.4(3) . . . . ?
C9 C8 O10 Ti1 170.2(3) . . . . ?
C9 C10 C11 C12 0.9(10) . . . . ?
C10 C9 C14 C13 0.8(8) . . . . ?
C10 C11 C12 C13 1.0(12) . . . . ?
C11 C12 C13 C14 -2.0(12) . . . . ?
C12 C13 C14 C9 1.1(10) . . . . ?
C14 C9 C10 C11 -1.8(8) . . . . ?
C15 C16 C17 C18 179.7(4) . . . . ?
C15 C16 C21 C20 -179.3(5) . . . . ?
C16 C15 O3 Ti2 -140.8(3) . . . . ?
C16 C15 O4 Ti1 -156.5(3) . . . . ?
C16 C17 C18 C19 -1.9(9) . . . . ?
C17 C16 C21 C20 -0.4(8) . . . . ?
C17 C18 C19 C20 2.5(10) . . . . ?
C18 C19 C20 C21 -2.0(10) . . . . ?
C19 C20 C21 C16 1.0(9) . . . . ?
C21 C16 C17 C18 0.9(7) . . . . ?
C22 C23 C24 C25 177.1(5) . . . . ?
C22 C23 C28 C27 -176.5(4) . . . . ?
C23 C22 O2 Ti2 -171.9(2) . . . . ?
C23 C24 C25 C26 -0.2(9) . . . . ?
C24 C23 C28 C27 0.9(7) . . . . ?
C24 C25 C26 C27 0.1(10) . . . . ?
C25 C26 C27 C28 0.6(10) . . . . ?
C26 C27 C28 C23 -1.0(9) . . . . ?
C28 C23 C24 C25 -0.3(7) . . . . ?
C29 C30 C31 C32 -179.3(3) . . . . ?
C29 C30 C35 C34 179.3(3) . . . . ?
C30 C29 O1 Ti2 153.7(2) . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C30 C35 C34 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C34 C35 C30 0.0 . . . . ?
C35 C30 C31 C32 0.0 . . . . ?
C36 C37 C38 C39 -179.3(4) . . . . ?
C36 C37 C42 C41 177.3(4) . . . . ?
C37 C36 O7 Ti3 -155.3(3) . . . . ?
C37 C38 C39 C40 1.2(8) . . . . ?
C38 C37 C42 C41 -2.4(6) . . . . ?
C38 C39 C40 C41 -0.7(8) . . . . ?
C39 C40 C41 C42 -1.4(8) . . . . ?
C40 C41 C42 C37 2.9(7) . . . . ?
C42 C37 C38 C39 0.4(7) . . . . ?
C43 C44 C45 C46 -1.3(8) . . . . ?
C43 C44 C45 C49 -178.9(5) . . . . ?
C44 C43 C48 C47 -1.0(9) . . . . ?
C44 C43 P1 Ag1 -37.3(4) . . . . ?
C44 C43 P1 C50 -159.8(4) . . . . ?
C44 C43 P1 C57 91.2(4) . . . . ?
C44 C45 C46 C47 0.4(9) . . . . ?
C45 C46 C47 C48 0.3(11) . . . . ?
C46 C47 C48 C43 0.0(11) . . . . ?
C48 C43 C44 C45 1.6(7) . . . . ?
C48 C43 P1 Ag1 139.2(4) . . . . ?
C48 C43 P1 C50 16.7(5) . . . . ?
C48 C43 P1 C57 -92.3(5) . . . . ?
C49 C45 C46 C47 177.9(6) . . . . ?
C50 C51 C52 C53 -1.2(14) . . . . ?
C51 C50 C55 C54 3.2(8) . . . . ?
C51 C50 P1 Ag1 134.0(5) . . . . ?
C51 C50 P1 C43 -105.9(5) . . . . ?
C51 C50 P1 C57 3.6(6) . . . . ?
C51 C52 C53 C54 0.2(15) . . . . ?
C52 C53 C54 C55 2.4(13) . . . . ?
C52 C53 C54 C56 -179.4(9) . . . . ?
C53 C54 C55 C50 -4.1(9) . . . . ?
C55 C50 C51 C52 -0.5(11) . . . . ?
C55 C50 P1 Ag1 -45.4(4) . . . . ?
C55 C50 P1 C43 74.6(4) . . . . ?
C55 C50 P1 C57 -175.9(4) . . . . ?
C56 C54 C55 C50 177.6(6) . . . . ?
C57 C58 C59 C60 -2.2(7) . . . . ?
C57 C58 C59 C63 176.7(4) . . . . ?
C58 C57 C62 C61 -0.6(8) . . . . ?
C58 C57 P1 Ag1 -45.3(4) . . . . ?
C58 C57 P1 C43 -168.6(3) . . . . ?
C58 C57 P1 C50 82.3(4) . . . . ?
C58 C59 C60 C61 0.8(9) . . . . ?
C59 C60 C61 C62 0.7(10) . . . . ?
C60 C61 C62 C57 -0.8(9) . . . . ?
C62 C57 C58 C59 2.1(7) . . . . ?
C62 C57 P1 Ag1 134.7(4) . . . . ?
C62 C57 P1 C43 11.4(5) . . . . ?
C62 C57 P1 C50 -97.7(4) . . . . ?
C63 C59 C60 C61 -178.1(6) . . . . ?
C64 C65 C66 C67 -172.1(6) . . . . ?
C64 C65 C70 C69 172.4(5) . . . . ?
C65 C64 O17 Ti4 -179.7(2) . . . . ?
C65 C64 O18 Ti3 124.8(3) . . . . ?
C65 C66 C67 C68 -0.9(12) . . . . ?
C66 C65 C70 C69 -2.5(8) . . . . ?
C66 C67 C68 C69 -1.7(14) . . . . ?
C67 C68 C69 C70 2.1(13) . . . . ?
C68 C69 C70 C65 -0.1(10) . . . . ?
C70 C65 C66 C67 2.9(9) . . . . ?
O1 C29 C30 C31 -15.5(4) . . . . ?
O1 C29 C30 C35 165.3(3) . . . . ?
O2 C22 C23 C24 -19.1(6) . . . . ?
O2 C22 C23 C28 158.3(4) . . . . ?
O3 C15 C16 C17 178.4(4) . . . . ?
O3 C15 C16 C21 -2.8(6) . . . . ?
O3 C15 O4 Ti1 22.3(5) . . . . ?
O4 C15 C16 C17 -2.7(6) . . . . ?
O4 C15 C16 C21 176.2(4) . . . . ?
O4 C15 O3 Ti2 40.3(5) . . . . ?
O7 C36 C37 C38 -158.0(4) . . . . ?
O7 C36 C37 C42 22.3(5) . . . . ?
O8 C36 C37 C38 21.0(5) 2_665 . . . ?
O8 C36 C37 C42 -158.8(4) 2_665 . . . ?
O8 C36 O7 Ti3 25.8(6) 2_665 . . . ?
O9 C8 C9 C10 -162.5(5) . . . . ?
O9 C8 C9 C14 16.8(7) . . . . ?
O9 C8 O10 Ti1 -9.4(7) . . . . ?
O10 C8 C9 C10 18.0(6) . . . . ?
O10 C8 C9 C14 -162.8(4) . . . . ?
O10 C8 O9 Ag1 -47.0(6) . . . . ?
O14 C1 C2 C3 -154.8(5) . . . . ?
O14 C1 C2 C7 26.4(7) . . . . ?
O14 C1 O15 Ti4 1.8(8) . . . . ?
O15 C1 C2 C3 26.7(6) . . . . ?
O15 C1 C2 C7 -152.1(5) . . . . ?
O15 C1 O14 Ag1 7.0(7) . . . . ?
O16 C29 C30 C31 164.6(3) 2_665 . . . ?
O16 C29 C30 C35 -14.7(4) 2_665 . . . ?
O16 C29 O1 Ti2 -26.3(6) 2_665 . . . ?
O17 C64 C65 C66 170.9(4) . . . . ?
O17 C64 C65 C70 -4.0(6) . . . . ?
O17 C64 O18 Ti3 -54.2(5) . . . . ?
O18 C64 C65 C66 -8.1(6) . . . . ?
O18 C64 C65 C70 177.0(4) . . . . ?
O18 C64 O17 Ti4 -0.7(5) . . . . ?
O19 C22 C23 C24 161.7(4) 2_665 . . . ?
O19 C22 C23 C28 -20.8(6) 2_665 . . . ?
O19 C22 O2 Ti2 7.2(5) 2_665 . . . ?
P1 C43 C44 C45 178.2(4) . . . . ?
P1 C43 C48 C47 -177.4(5) . . . . ?
P1 C50 C51 C52 -180.0(6) . . . . ?
P1 C50 C55 C54 -177.3(4) . . . . ?
P1 C57 C58 C59 -177.8(4) . . . . ?
P1 C57 C62 C61 179.4(4) . . . . ?
Ti1 O12 Ti4 O11 95.79(10) . . . . ?
Ti1 O12 Ti4 O13 0.05(10) . . . . ?
Ti1 O12 Ti4 O15 -96.76(11) . . . . ?
Ti1 O12 Ti4 O17 -178.79(10) . . . . ?
Ti1 O13 Ti4 O11 -94.03(10) . . . . ?
Ti1 O13 Ti4 O12 -0.05(10) . . . . ?
Ti1 O13 Ti4 O15 96.20(12) . . . . ?
Ti1 O13 Ti4 O16 179.49(11) . . . . ?
Ti2 O6 Ti3 O5 41.5(2) . . . 2_665 ?
Ti2 O6 Ti3 O7 134.6(2) . . . . ?
Ti2 O6 Ti3 O11 -40.1(2) . . . . ?
Ti2 O6 Ti3 O18 -132.1(2) . . . . ?
Ti2 O6 Ti3 Ti2 0.8(3) . . . 2_665 ?
Ti3 O6 Ti2 O1 -133.9(2) . . . . ?
Ti3 O6 Ti2 O3 132.0(2) . . . . ?
Ti3 O6 Ti2 O5 39.5(2) . . . . ?
Ti3 O6 Ti2 O11 -41.6(2) . . . 2_665 ?
Ti3 O6 Ti2 Ti3 -0.9(3) . . . 2_665 ?
Ti4 O12 Ti1 O4 -177.46(10) . . . . ?
Ti4 O12 Ti1 O5 -94.13(10) . . . . ?
Ti4 O12 Ti1 O10 98.94(11) . . . . ?
Ti4 O12 Ti1 O13 -0.05(10) . . . . ?
Ti4 O13 Ti1 O5 92.64(10) . . . . ?
Ti4 O13 Ti1 O8 -179.94(11) . . . . ?
Ti4 O13 Ti1 O10 -94.62(12) . . . . ?
Ti4 O13 Ti1 O12 0.05(10) . . . . ?

# (APPEND TO CIF)
_vrf_PLAT260_1                   
;
PROBLEM:   Large Average Ueq of Residue Including        N1      0.185   
RESPONSE: This is because the guest CH3CN molecules were disorder.
;

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.639
_oxdiff_exptl_absorpt_empirical_full_min 0.647
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 1916929'
loop_
_audit_author_name
_audit_author_address
'Youzhu Yu'
;Anyang Institute of Technology
China
;
_audit_update_record             
;
2019-07-17 deposited with the CCDC.	2019-08-07 downloaded from the CCDC.
;
_audit_creation_date             2019-07-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C148 H128 Ag2 O52 P2 Ti8), 6(C2 H3 N)'
_chemical_formula_sum            'C308.20 H274.61 Ag4 N6 O104 P4 Ti16'
_chemical_formula_weight         7048.09
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.6045(2)
_cell_length_b                   17.2291(3)
_cell_length_c                   31.2468(5)
_cell_angle_alpha                92.6270(10)
_cell_angle_beta                 99.8580(10)
_cell_angle_gamma                109.6870(10)
_cell_volume                     7744.2(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9397
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      32.65
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   0.842
_shelx_estimated_absorpt_T_min   0.786
_exptl_absorpt_coefficient_mu    0.744
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3598
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.24
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            100488
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.263
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                23681
_reflns_number_total             27262
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_refine_diff_density_max         1.632
_refine_diff_density_min         -0.820
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2081
_refine_ls_number_reflns         27262
_refine_ls_number_restraints     1390
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0319
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0368P)²+10.3412P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0793
_refine_ls_wR_factor_ref         0.0846
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H) groups, All C(H,H,H) groups
2. Restrained distances
 N3-C153
 1.15 with sigma of 0.01
 C153-C154
 1.45 with sigma of 0.01
 O6-C16A = O6-C16
 1.48 with sigma of 0.01
 N3-C154
 2.65 with sigma of 0.01
 N3-C15B
 1.15 with sigma of 0.01
 C15B-C15A
 1.52 with sigma of 0.01
 N3-C15A
 2.65 with sigma of 0.01
 O52A-C14G = O52-C147
 1.45 with sigma of 0.01
3. Rigid bond restraints
 C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14, C15, C16, C16A,
 C17, C18, C19, C20, C21, C22, C23, C24, C25, C26, C27, C28, C29, C30, C31, C32,
  C33, C34, C35, C36, C37, C38, C39, C40, C41, C42, C43, C44, C45, C46, C47,
 C48, C49, C50, C51, C52, C53, C54, C55, C56, C57, C58, C59, C60, C61, C62, C63,
  C64, C65, C66, C67, C68, C69, C70, C71, C72, C73, C74, C75, C76, C77, C78,
 C79, C80, C81, C82, C83, C84, C85, C86, C87, C88, C89, C90, C91, C92, C93, C94,
  C95, C96, C97, C98, C99, C100, C101, C102, C103, C104, C105, C106, C107, C108,
  C109, C110, C111, C112, C113, C114, C115, C116, C117, C118, C119, C120, C121,
 C122, C123, C124, C125, C126, C127, C128, C129, C130, C131, C132, C133, C134,
 C135, C136, C137, C138, C139, C140, C141, C142, C143, C144, C145, C146, C14A,
 C14B, C14C, C14D, C14E, C14F, C148, C147, C14G, C149, C150, C151, C152, C153,
 C154, C15A, C15B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim
C16A \\sim C17 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23
\\sim C24 \\sim C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31
\\sim C32 \\sim C33 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39
\\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47
\\sim C48 \\sim C49 \\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55
\\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63
\\sim C64 \\sim C65 \\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71
\\sim C72 \\sim C73 \\sim C74 \\sim C75 \\sim C76 \\sim C77 \\sim C78 \\sim C79
\\sim C80 \\sim C81 \\sim C82 \\sim C83 \\sim C84 \\sim C85 \\sim C86 \\sim C87
\\sim C88 \\sim C89 \\sim C90 \\sim C91 \\sim C92 \\sim C93 \\sim C94 \\sim C95
\\sim C96 \\sim C97 \\sim C98 \\sim C99 \\sim C100 \\sim C101 \\sim C102 \\sim
C103 \\sim C104 \\sim C105 \\sim C106 \\sim C107 \\sim C108 \\sim C109 \\sim
C110 \\sim C111 \\sim C112 \\sim C113 \\sim C114 \\sim C115 \\sim C116 \\sim
C117 \\sim C118 \\sim C119 \\sim C120 \\sim C121 \\sim C122 \\sim C123 \\sim
C124 \\sim C125 \\sim C126 \\sim C127 \\sim C128 \\sim C129 \\sim C130 \\sim
C131 \\sim C132 \\sim C133 \\sim C134 \\sim C135 \\sim C136 \\sim C137 \\sim
C138 \\sim C139 \\sim C140 \\sim C141 \\sim C142 \\sim C143 \\sim C144 \\sim
C145 \\sim C146 \\sim C14A \\sim C14B \\sim C14C \\sim C14D \\sim C14E \\sim
C14F \\sim C148 \\sim C147 \\sim C14G \\sim C149 \\sim C150 \\sim C151 \\sim
C152 \\sim C153 \\sim C154 \\sim C15A \\sim C15B: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02
Uanis(C16) \\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(C144) \\sim Ueq, Uanis(C147)
\\sim Ueq, Uanis(C14G) \\sim Ueq, Uanis(C124) \\sim Ueq, Uanis(C153) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(O52A) \\sim Ueq, Uanis(C124) \\sim Ueq, Uanis(O52) \\sim Ueq, Uanis(O38)
\\sim Ueq, Uanis(O29) \\sim Ueq: with sigma of 0.001 and sigma for terminal
atoms of 0.001
5. Others
 Sof(C16A)=Sof(H16D)=Sof(H16E)=Sof(H16F)=Sof(C141)=Sof(C142)=Sof(H142)=
 Sof(C143)=Sof(H143)=Sof(C144)=Sof(C145)=Sof(H145)=Sof(C146)=Sof(H146)=
 Sof(C15A)=Sof(H15D)=Sof(H15E)=Sof(H15F)=Sof(C15B)=Sof(O52A)=1-FVAR(1)
 Sof(C16)=Sof(H16A)=Sof(H16B)=Sof(H16C)=Sof(C14A)=Sof(C14B)=Sof(H14D)=
 Sof(C14C)=Sof(H14E)=Sof(C14D)=Sof(C14E)=Sof(H14F)=Sof(C14F)=Sof(H14G)=
 Sof(C147)=Sof(H14H)=Sof(H14I)=Sof(H14J)=Sof(C14G)=Sof(H14K)=Sof(H14L)=
 Sof(H14M)=Sof(C153)=Sof(C154)=Sof(H15A)=Sof(H15B)=Sof(H15C)=Sof(O52)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C11(H11), C12(H12), C14(H14), C15(H15),
 C19(H19), C20(H20), C22(H22), C23(H23), C27(H27), C28(H28), C30(H30), C31(H31),
  C35(H35), C36(H36), C38(H38), C39(H39), C43(H43), C44(H44), C46(H46),
 C47(H47), C51(H51), C52(H52), C54(H54), C55(H55), C58(H58), C59(H59), C60(H60),
  C61(H61), C62(H62), C64(H64), C65(H65), C66(H66), C67(H67), C68(H68),
 C70(H70), C71(H71), C72(H72), C73(H73), C74(H74), C76(H76), C77(H77), C78(H78),
  C79(H79), C80(H80), C82(H82), C83(H83), C84(H84), C85(H85), C86(H86),
 C87(H87), C88(H88), C89(H89), C90(H90), C91(H91), C95(H95), C96(H96), C98(H98),
  C99(H99), C103(H103), C104(H104), C106(H106), C107(H107), C111(H111),
 C112(H112), C114(H114), C115(H115), C119(H119), C120(H120), C122(H122),
 C123(H123), C127(H127), C128(H128), C130(H130), C131(H131), C135(H135),
 C136(H136), C138(H138), C139(H139), C142(H142), C143(H143), C145(H145),
 C146(H146), C14B(H14D), C14C(H14E), C14E(H14F), C14F(H14G)
6.b Fitted hexagon refined as free rotating group:
 C141(C142,C143,C144,C145,C146), C14A(C14B,C14C,C14D,C14E,C14F)
6.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C16(H16A,H16B,H16C), C16A(H16D,H16E,H16F), C24(H24A,H24B,
 H24C), C32(H32A,H32B,H32C), C40(H40A,H40B,H40C), C48(H48A,H48B,H48C), C56(H56A,
 H56B,H56C), C100(H10A,H10B,H10C), C108(H10D,H10E,H10F), C116(H11A,H11B,H11C),
 C124(H12A,H12B,H12C), C132(H13A,H13B,H13C), C140(H14A,H14B,H14C), C147(H14H,
 H14I,H14J), C14G(H14K,H14L,H14M), C149(H14N,H14O,H14P), C152(H15G,H15H,H15I),
 C154(H15A,H15B,H15C), C15A(H15D,H15E,H15F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.22481(2) 0.63381(2) 0.88018(2) 0.02457(5) Uani 1 1 d . . . . .
Ag2 Ag 0.51094(2) 0.16722(2) 0.65871(2) 0.02561(5) Uani 1 1 d . . . . .
Ti1 Ti 0.85791(3) 0.41877(2) 0.96404(2) 0.01340(9) Uani 1 1 d . . . . .
Ti2 Ti 0.96069(3) 0.59972(2) 1.03375(2) 0.01366(9) Uani 1 1 d . . . . .
Ti3 Ti 0.98419(3) 0.52860(3) 0.88869(2) 0.01567(9) Uani 1 1 d . . . . .
Ti4 Ti 1.06571(3) 0.67311(2) 0.94472(2) 0.01576(9) Uani 1 1 d . . . . .
Ti5 Ti 0.35383(3) 0.06160(3) 0.55551(2) 0.01894(10) Uani 1 1 d . . . . .
Ti6 Ti 0.50432(3) 0.19225(3) 0.54315(2) 0.02144(10) Uani 1 1 d . . . . .
Ti7 Ti 0.35059(3) -0.07431(3) 0.46563(2) 0.01846(9) Uani 1 1 d . . . . .
Ti8 Ti 0.53985(3) 0.08978(3) 0.45082(2) 0.01746(9) Uani 1 1 d . . . . .
P1 P 1.37075(4) 0.61759(4) 0.89061(2) 0.01850(13) Uani 1 1 d . . . . .
P2 P 0.60538(5) 0.13899(4) 0.71891(2) 0.02181(14) Uani 1 1 d . . . . .
C1 C 0.77510(17) 0.44224(14) 0.87421(8) 0.0177(5) Uani 1 1 d . U . . .
C2 C 0.68436(17) 0.42149(15) 0.84413(8) 0.0200(5) Uani 1 1 d . U . . .
C3 C 0.60442(18) 0.41374(17) 0.86023(8) 0.0272(6) Uani 1 1 d . U . . .
H3 H 0.6081 0.4225 0.8902 0.041 Uiso 1 1 calc R . . . .
C4 C 0.52033(19) 0.39329(18) 0.83223(9) 0.0302(6) Uani 1 1 d . U . . .
H4 H 0.4675 0.3895 0.8432 0.045 Uiso 1 1 calc R . . . .
C5 C 0.51365(18) 0.37814(16) 0.78726(8) 0.0257(6) Uani 1 1 d . U . . .
C6 C 0.59305(18) 0.38677(17) 0.77066(8) 0.0269(6) Uani 1 1 d . U . . .
H6 H 0.5893 0.3777 0.7407 0.040 Uiso 1 1 calc R . . . .
C7 C 0.67773(18) 0.40904(16) 0.79916(8) 0.0237(5) Uani 1 1 d . U . . .
H7 H 0.7312 0.4158 0.7881 0.036 Uiso 1 1 calc R . . . .
C8 C 0.4123(2) 0.3249(3) 0.71819(10) 0.0523(9) Uani 1 1 d . U . . .
H8A H 0.4419 0.3697 0.7025 0.079 Uiso 1 1 calc GR . . . .
H8B H 0.3469 0.3029 0.7061 0.079 Uiso 1 1 calc GR . . . .
H8C H 0.4383 0.2821 0.7157 0.079 Uiso 1 1 calc GR . . . .
C9 C 0.86426(17) 0.26182(14) 0.91725(7) 0.0178(5) Uani 1 1 d . U . . .
C10 C 0.81701(17) 0.17439(15) 0.89698(8) 0.0196(5) Uani 1 1 d . U . . .
C11 C 0.72094(18) 0.13956(15) 0.88732(8) 0.0223(5) Uani 1 1 d . U . . .
H11 H 0.6859 0.1718 0.8928 0.033 Uiso 1 1 calc R . . . .
C12 C 0.67619(19) 0.05759(16) 0.86961(9) 0.0280(6) Uani 1 1 d . U . . .
H12 H 0.6117 0.0352 0.8631 0.042 Uiso 1 1 calc R . . . .
C13 C 0.7281(2) 0.00934(16) 0.86167(9) 0.0295(6) Uani 1 1 d . U . . .
C14 C 0.8245(2) 0.04356(17) 0.87131(10) 0.0345(7) Uani 1 1 d . U . . .
H14 H 0.8595 0.0112 0.8660 0.052 Uiso 1 1 calc R . . . .
C15 C 0.86841(19) 0.12543(16) 0.88865(9) 0.0281(6) Uani 1 1 d . U . . .
H15 H 0.9329 0.1480 0.8948 0.042 Uiso 1 1 calc R . . . .
C16 C 0.5952(3) -0.1107(3) 0.82969(16) 0.0329(13) Uani 0.551(4) 1 d D U P A 1
H16A H 0.5647 -0.1169 0.8542 0.049 Uiso 0.551(4) 1 calc GR . P A 1
H16B H 0.5842 -0.1645 0.8151 0.049 Uiso 0.551(4) 1 calc GR . P A 1
H16C H 0.5712 -0.0789 0.8097 0.049 Uiso 0.551(4) 1 calc GR . P A 1
C16A C 0.7267(8) -0.1316(5) 0.8497(3) 0.085(3) Uani 0.449(4) 1 d D U P A 2
H16D H 0.7749 -0.1230 0.8331 0.127 Uiso 0.449(4) 1 calc GR . P A 2
H16E H 0.6795 -0.1849 0.8399 0.127 Uiso 0.449(4) 1 calc GR . P A 2
H16F H 0.7525 -0.1295 0.8801 0.127 Uiso 0.449(4) 1 calc GR . P A 2
C17 C 0.73688(17) 0.28086(14) 1.00124(7) 0.0169(5) Uani 1 1 d . U . . .
C18 C 0.63952(17) 0.22698(15) 0.98412(8) 0.0192(5) Uani 1 1 d . U . . .
C19 C 0.57334(18) 0.26227(16) 0.96852(9) 0.0260(6) Uani 1 1 d . U . . .
H19 H 0.5905 0.3197 0.9698 0.039 Uiso 1 1 calc R . . . .
C20 C 0.48320(19) 0.21305(16) 0.95129(9) 0.0290(6) Uani 1 1 d . U . . .
H20 H 0.4393 0.2371 0.9416 0.043 Uiso 1 1 calc R . . . .
C21 C 0.45743(18) 0.12713(16) 0.94834(8) 0.0248(6) Uani 1 1 d . U . . .
C22 C 0.52267(19) 0.09153(16) 0.96329(9) 0.0291(6) Uani 1 1 d . U . . .
H22 H 0.5059 0.0341 0.9612 0.044 Uiso 1 1 calc R . . . .
C23 C 0.61301(18) 0.14184(15) 0.98132(9) 0.0256(6) Uani 1 1 d . U . . .
H23 H 0.6565 0.1178 0.9917 0.038 Uiso 1 1 calc R . . . .
C24 C 0.3375(2) -0.00431(18) 0.92611(11) 0.0411(8) Uani 1 1 d . U . . .
H24A H 0.3700 -0.0228 0.9067 0.062 Uiso 1 1 calc GR . . . .
H24B H 0.2719 -0.0273 0.9146 0.062 Uiso 1 1 calc GR . . . .
H24C H 0.3507 -0.0223 0.9543 0.062 Uiso 1 1 calc GR . . . .
C25 C 1.04129(18) 0.59849(17) 0.80525(8) 0.0260(6) Uani 1 1 d . U . . .
C26 C 0.99212(19) 0.61267(17) 0.76261(8) 0.0272(6) Uani 1 1 d . U . . .
C27 C 1.0423(2) 0.6555(2) 0.73327(10) 0.0427(8) Uani 1 1 d . U . . .
H27 H 1.1068 0.6763 0.7404 0.064 Uiso 1 1 calc R . . . .
C28 C 0.9967(2) 0.6678(2) 0.69303(10) 0.0425(8) Uani 1 1 d . U . . .
H28 H 1.0306 0.6976 0.6737 0.064 Uiso 1 1 calc R . . . .
C29 C 0.9017(2) 0.63545(19) 0.68225(9) 0.0360(7) Uani 1 1 d . U . . .
C30 C 0.8511(2) 0.5928(2) 0.71147(10) 0.0407(7) Uani 1 1 d . U . . .
H30 H 0.7866 0.5711 0.7041 0.061 Uiso 1 1 calc R . . . .
C31 C 0.89612(19) 0.58243(18) 0.75152(9) 0.0312(6) Uani 1 1 d . U . . .
H31 H 0.8617 0.5549 0.7713 0.047 Uiso 1 1 calc R . . . .
C32 C 0.8967(3) 0.6835(3) 0.61169(10) 0.0588(10) Uani 1 1 d . U . . .
H32A H 0.8522 0.6818 0.5860 0.088 Uiso 1 1 calc GR . . . .
H32B H 0.9381 0.6569 0.6044 0.088 Uiso 1 1 calc GR . . . .
H32C H 0.9316 0.7402 0.6232 0.088 Uiso 1 1 calc GR . . . .
C33 C 0.90846(16) 0.58930(14) 1.12161(8) 0.0182(5) Uani 1 1 d . U . . .
C34 C 0.86463(17) 0.63233(15) 1.14805(8) 0.0202(5) Uani 1 1 d . U . . .
C35 C 0.88542(18) 0.64015(16) 1.19374(8) 0.0248(5) Uani 1 1 d . U . . .
H35 H 0.9256 0.6158 1.2080 0.037 Uiso 1 1 calc R . . . .
C36 C 0.84687(19) 0.68357(17) 1.21782(9) 0.0284(6) Uani 1 1 d . U . . .
H36 H 0.8612 0.6884 1.2482 0.043 Uiso 1 1 calc R . . . .
C37 C 0.78653(18) 0.72025(17) 1.19688(9) 0.0273(6) Uani 1 1 d . U . . .
C38 C 0.76275(19) 0.71048(17) 1.15156(9) 0.0293(6) Uani 1 1 d . U . . .
H38 H 0.7207 0.7330 1.1374 0.044 Uiso 1 1 calc R . . . .
C39 C 0.80221(18) 0.66694(16) 1.12761(8) 0.0251(6) Uani 1 1 d . U . . .
H39 H 0.7866 0.6608 1.0972 0.038 Uiso 1 1 calc R . . . .
C40 C 0.6941(2) 0.8043(2) 1.20345(11) 0.0439(8) Uani 1 1 d . U . . .
H40A H 0.7255 0.8442 1.1857 0.066 Uiso 1 1 calc GR . . . .
H40B H 0.6758 0.8319 1.2257 0.066 Uiso 1 1 calc GR . . . .
H40C H 0.6400 0.7636 1.1855 0.066 Uiso 1 1 calc GR . . . .
C41 C 0.94431(17) 0.74586(14) 0.99033(8) 0.0190(5) Uani 1 1 d . U . . .
C42 C 0.90832(17) 0.81398(15) 0.99685(8) 0.0203(5) Uani 1 1 d . U . . .
C43 C 0.86496(19) 0.81821(16) 1.03178(9) 0.0274(6) Uani 1 1 d . U . . .
H43 H 0.8560 0.7767 1.0503 0.041 Uiso 1 1 calc R . . . .
C44 C 0.8352(2) 0.88351(18) 1.03904(9) 0.0324(6) Uani 1 1 d . U . . .
H44 H 0.8073 0.8866 1.0628 0.049 Uiso 1 1 calc R . . . .
C45 C 0.84681(18) 0.94472(15) 1.01094(9) 0.0256(6) Uani 1 1 d . U . . .
C46 C 0.8871(2) 0.93984(16) 0.97539(10) 0.0312(6) Uani 1 1 d . U . . .
H46 H 0.8931 0.9797 0.9559 0.047 Uiso 1 1 calc R . . . .
C47 C 0.9185(2) 0.87498(16) 0.96901(9) 0.0301(6) Uani 1 1 d . U . . .
H47 H 0.9470 0.8724 0.9455 0.045 Uiso 1 1 calc R . . . .
C48 C 0.8258(2) 1.07130(17) 0.99291(12) 0.0406(8) Uani 1 1 d . U . . .
H48A H 0.7868 1.0488 0.9647 0.061 Uiso 1 1 calc GR . . . .
H48B H 0.8894 1.0942 0.9898 0.061 Uiso 1 1 calc GR . . . .
H48C H 0.8079 1.1141 1.0053 0.061 Uiso 1 1 calc GR . . . .
C49 C 1.14974(18) 0.78969(15) 0.87911(8) 0.0223(5) Uani 1 1 d . U . . .
C50 C 1.13042(18) 0.85991(15) 0.85843(8) 0.0218(5) Uani 1 1 d . U . . .
C51 C 1.07166(19) 0.89423(17) 0.87360(9) 0.0289(6) Uani 1 1 d . U . . .
H51 H 1.0415 0.8710 0.8956 0.043 Uiso 1 1 calc R . . . .
C52 C 1.0566(2) 0.96258(18) 0.85669(10) 0.0342(7) Uani 1 1 d . U . . .
H52 H 1.0172 0.9852 0.8675 0.051 Uiso 1 1 calc R . . . .
C53 C 1.1006(2) 0.99667(17) 0.82371(10) 0.0343(7) Uani 1 1 d . U . . .
C54 C 1.1590(2) 0.96205(18) 0.80775(10) 0.0378(7) Uani 1 1 d . U . . .
H54 H 1.1880 0.9846 0.7852 0.057 Uiso 1 1 calc R . . . .
C55 C 1.1744(2) 0.89438(17) 0.82507(9) 0.0321(6) Uani 1 1 d . U . . .
H55 H 1.2142 0.8719 0.8144 0.048 Uiso 1 1 calc R . . . .
C56 C 1.0334(3) 1.1024(2) 0.82094(14) 0.0549(10) Uani 1 1 d . U . . .
H56A H 1.0355 1.1507 0.8064 0.082 Uiso 1 1 calc GR . . . .
H56B H 1.0550 1.1182 0.8518 0.082 Uiso 1 1 calc GR . . . .
H56C H 0.9708 1.0638 0.8155 0.082 Uiso 1 1 calc GR . . . .
C57 C 1.46649(18) 0.71137(15) 0.91603(8) 0.0217(5) Uani 1 1 d . U . . .
C58 C 1.4515(2) 0.78607(17) 0.91669(10) 0.0327(6) Uani 1 1 d . U . . .
H58 H 1.3927 0.7874 0.9058 0.049 Uiso 1 1 calc R . . . .
C59 C 1.5246(2) 0.85894(19) 0.93367(12) 0.0453(8) Uani 1 1 d . U . . .
H59 H 1.5146 0.9092 0.9337 0.068 Uiso 1 1 calc R . . . .
C60 C 1.6109(2) 0.85769(19) 0.95027(11) 0.0430(8) Uani 1 1 d . U . . .
H60 H 1.6592 0.9070 0.9616 0.065 Uiso 1 1 calc R . . . .
C61 C 1.6264(2) 0.78388(19) 0.95023(10) 0.0372(7) Uani 1 1 d . U . . .
H61 H 1.6851 0.7830 0.9616 0.056 Uiso 1 1 calc R . . . .
C62 C 1.55434(19) 0.71064(17) 0.93320(9) 0.0289(6) Uani 1 1 d . U . . .
H62 H 1.5649 0.6606 0.9333 0.043 Uiso 1 1 calc R . . . .
C63 C 1.40216(18) 0.59369(16) 0.83906(8) 0.0224(5) Uani 1 1 d . U . . .
C64 C 1.4859(2) 0.6368(2) 0.82772(10) 0.0402(7) Uani 1 1 d . U . . .
H64 H 1.5307 0.6792 0.8473 0.060 Uiso 1 1 calc R . . . .
C65 C 1.5034(3) 0.6169(2) 0.78709(11) 0.0538(9) Uani 1 1 d . U . . .
H65 H 1.5598 0.6460 0.7796 0.081 Uiso 1 1 calc R . . . .
C66 C 1.4374(3) 0.5543(2) 0.75818(10) 0.0476(8) Uani 1 1 d . U . . .
H66 H 1.4487 0.5414 0.7310 0.071 Uiso 1 1 calc R . . . .
C67 C 1.3548(3) 0.5108(2) 0.76943(10) 0.0476(8) Uani 1 1 d . U . . .
H67 H 1.3106 0.4677 0.7500 0.071 Uiso 1 1 calc R . . . .
C68 C 1.3370(2) 0.53077(19) 0.80950(9) 0.0378(7) Uani 1 1 d . U . . .
H68 H 1.2803 0.5014 0.8167 0.057 Uiso 1 1 calc R . . . .
C69 C 1.38195(17) 0.53539(15) 0.92345(8) 0.0193(5) Uani 1 1 d . U . . .
C70 C 1.44091(19) 0.49234(16) 0.91738(9) 0.0255(6) Uani 1 1 d . U . . .
H70 H 1.4777 0.5060 0.8964 0.038 Uiso 1 1 calc R . . . .
C71 C 1.4446(2) 0.42927(17) 0.94259(9) 0.0324(6) Uani 1 1 d . U . . .
H71 H 1.4839 0.4005 0.9385 0.049 Uiso 1 1 calc R . . . .
C72 C 1.3903(2) 0.40868(18) 0.97374(9) 0.0346(7) Uani 1 1 d . U . . .
H72 H 1.3928 0.3658 0.9904 0.052 Uiso 1 1 calc R . . . .
C73 C 1.3324(2) 0.45149(17) 0.98031(9) 0.0318(6) Uani 1 1 d . U . . .
H73 H 1.2965 0.4380 1.0016 0.048 Uiso 1 1 calc R . . . .
C74 C 1.32763(18) 0.51469(16) 0.95505(8) 0.0241(5) Uani 1 1 d . U . . .
H74 H 1.2881 0.5432 0.9593 0.036 Uiso 1 1 calc R . . . .
C75 C 0.71418(18) 0.22426(16) 0.73935(8) 0.0246(5) Uani 1 1 d . U . . .
C76 C 0.7753(2) 0.22415(19) 0.77754(9) 0.0336(6) Uani 1 1 d . U . . .
H76 H 0.7618 0.1785 0.7933 0.050 Uiso 1 1 calc R . . . .
C77 C 0.8560(2) 0.2918(2) 0.79204(10) 0.0384(7) Uani 1 1 d . U . . .
H77 H 0.8961 0.2919 0.8178 0.058 Uiso 1 1 calc R . . . .
C78 C 0.8769(2) 0.35919(19) 0.76836(10) 0.0357(7) Uani 1 1 d . U . . .
H78 H 0.9310 0.4047 0.7783 0.053 Uiso 1 1 calc R . . . .
C79 C 0.8181(2) 0.35922(18) 0.73018(9) 0.0338(6) Uani 1 1 d . U . . .
H79 H 0.8332 0.4042 0.7140 0.051 Uiso 1 1 calc R . . . .
C80 C 0.73633(19) 0.29225(17) 0.71577(9) 0.0280(6) Uani 1 1 d . U . . .
H80 H 0.6962 0.2929 0.6902 0.042 Uiso 1 1 calc R . . . .
C81 C 0.63977(19) 0.04963(17) 0.70972(8) 0.0260(6) Uani 1 1 d . U . . .
C82 C 0.64095(19) 0.02411(17) 0.66698(8) 0.0277(6) Uani 1 1 d . U . . .
H82 H 0.6225 0.0515 0.6442 0.042 Uiso 1 1 calc R . . . .
C83 C 0.6694(2) -0.0416(2) 0.65822(9) 0.0383(7) Uani 1 1 d . U . . .
H83 H 0.6700 -0.0584 0.6296 0.057 Uiso 1 1 calc R . . . .
C84 C 0.6968(3) -0.0823(2) 0.69177(11) 0.0519(9) Uani 1 1 d . U . . .
H84 H 0.7154 -0.1269 0.6857 0.078 Uiso 1 1 calc R . . . .
C85 C 0.6967(3) -0.0573(2) 0.73439(11) 0.0588(10) Uani 1 1 d . U . . .
H85 H 0.7159 -0.0845 0.7571 0.088 Uiso 1 1 calc R . . . .
C86 C 0.6681(3) 0.0085(2) 0.74325(10) 0.0450(8) Uani 1 1 d . U . . .
H86 H 0.6678 0.0251 0.7719 0.068 Uiso 1 1 calc R . . . .
C87 C 0.4775(2) 0.04433(19) 0.76507(9) 0.0356(7) Uani 1 1 d . U . . .
H87 H 0.4634 0.0031 0.7420 0.053 Uiso 1 1 calc R . . . .
C88 C 0.4275(2) 0.0302(2) 0.79819(10) 0.0416(7) Uani 1 1 d . U . . .
H88 H 0.3808 -0.0208 0.7976 0.062 Uiso 1 1 calc R . . . .
C89 C 0.4466(2) 0.0915(2) 0.83209(10) 0.0373(7) Uani 1 1 d . U . . .
H89 H 0.4124 0.0820 0.8542 0.056 Uiso 1 1 calc R . . . .
C90 C 0.5159(2) 0.16642(19) 0.83320(9) 0.0331(6) Uani 1 1 d . U . . .
H90 H 0.5287 0.2078 0.8560 0.050 Uiso 1 1 calc R . . . .
C91 C 0.56714(19) 0.18063(17) 0.80026(8) 0.0268(6) Uani 1 1 d . U . . .
H91 H 0.6143 0.2314 0.8013 0.040 Uiso 1 1 calc R . . . .
C92 C 0.54857(18) 0.11971(16) 0.76585(8) 0.0231(5) Uani 1 1 d . U . . .
C93 C 0.2900(2) 0.12957(17) 0.62943(9) 0.0277(6) Uani 1 1 d . U . . .
C94 C 0.2004(2) 0.13119(19) 0.63842(9) 0.0320(6) Uani 1 1 d . U . . .
C95 C 0.1351(2) 0.1458(2) 0.60682(10) 0.0437(8) Uani 1 1 d . U . . .
H95 H 0.1471 0.1549 0.5790 0.065 Uiso 1 1 calc R . . . .
C96 C 0.0527(3) 0.1471(3) 0.61638(12) 0.0613(10) Uani 1 1 d . U . . .
H96 H 0.0097 0.1579 0.5952 0.092 Uiso 1 1 calc R . . . .
C97 C 0.0336(2) 0.1323(3) 0.65778(12) 0.0601(10) Uani 1 1 d . U . . .
C98 C 0.0976(2) 0.1183(3) 0.68961(11) 0.0559(10) Uani 1 1 d . U . . .
H98 H 0.0851 0.1089 0.7173 0.084 Uiso 1 1 calc R . . . .
C99 C 0.1813(2) 0.1185(2) 0.67988(9) 0.0422(8) Uani 1 1 d . U . . .
H99 H 0.2252 0.1100 0.7015 0.063 Uiso 1 1 calc R . . . .
C100 C -0.0752(3) 0.1197(4) 0.70521(15) 0.0944(18) Uani 1 1 d . U . . .
H10A H -0.1371 0.1195 0.7043 0.142 Uiso 1 1 calc GR . . . .
H10B H -0.0323 0.1638 0.7264 0.142 Uiso 1 1 calc GR . . . .
H10C H -0.0717 0.0676 0.7133 0.142 Uiso 1 1 calc GR . . . .
C101 C 0.25846(18) -0.20821(15) 0.51997(8) 0.0233(5) Uani 1 1 d . U . . .
C102 C 0.17814(19) -0.28000(16) 0.52685(9) 0.0274(6) Uani 1 1 d . U . . .
C103 C 0.0953(2) -0.30632(18) 0.49681(10) 0.0338(6) Uani 1 1 d . U . . .
H103 H 0.0913 -0.2812 0.4712 0.051 Uiso 1 1 calc R . . . .
C104 C 0.0178(2) -0.36974(19) 0.50415(11) 0.0403(7) Uani 1 1 d . U . . .
H104 H -0.0379 -0.3866 0.4838 0.060 Uiso 1 1 calc R . . . .
C105 C 0.0249(2) -0.40730(19) 0.54227(11) 0.0418(7) Uani 1 1 d . U . . .
C106 C 0.1081(2) -0.38267(19) 0.57219(11) 0.0419(7) Uani 1 1 d . U . . .
H106 H 0.1127 -0.4088 0.5974 0.063 Uiso 1 1 calc R . . . .
C107 C 0.1846(2) -0.31935(17) 0.56460(10) 0.0328(6) Uani 1 1 d . U . . .
H107 H 0.2404 -0.3030 0.5848 0.049 Uiso 1 1 calc R . . . .
C108 C -0.1354(2) -0.4949(2) 0.52474(15) 0.0653(11) Uani 1 1 d . U . . .
H10D H -0.1305 -0.5165 0.4967 0.098 Uiso 1 1 calc GR . . . .
H10E H -0.1560 -0.4485 0.5214 0.098 Uiso 1 1 calc GR . . . .
H10F H -0.1794 -0.5374 0.5368 0.098 Uiso 1 1 calc GR . . . .
C109 C 0.52227(19) 0.33236(16) 0.60940(9) 0.0264(6) Uani 1 1 d . U . . .
C110 C 0.5520(2) 0.42213(16) 0.60353(9) 0.0277(6) Uani 1 1 d . U . . .
C111 C 0.5826(2) 0.48191(17) 0.63948(9) 0.0327(6) Uani 1 1 d . U . . .
H111 H 0.5820 0.4654 0.6674 0.049 Uiso 1 1 calc R . . . .
C112 C 0.6142(2) 0.56593(18) 0.63444(10) 0.0364(7) Uani 1 1 d . U . . .
H112 H 0.6333 0.6054 0.6587 0.055 Uiso 1 1 calc R . . . .
C113 C 0.6169(2) 0.59021(17) 0.59304(11) 0.0386(7) Uani 1 1 d . U . . .
C114 C 0.5855(3) 0.53113(19) 0.55694(11) 0.0463(8) Uani 1 1 d . U . . .
H114 H 0.5862 0.5477 0.5290 0.069 Uiso 1 1 calc R . . . .
C115 C 0.5532(2) 0.44797(18) 0.56219(10) 0.0387(7) Uani 1 1 d . U . . .
H115 H 0.5321 0.4087 0.5378 0.058 Uiso 1 1 calc R . . . .
C116 C 0.6822(3) 0.73444(19) 0.61974(13) 0.0565(10) Uani 1 1 d . U . . .
H11A H 0.7024 0.7875 0.6088 0.085 Uiso 1 1 calc GR . . . .
H11B H 0.7335 0.7277 0.6391 0.085 Uiso 1 1 calc GR . . . .
H11C H 0.6334 0.7313 0.6353 0.085 Uiso 1 1 calc GR . . . .
C117 C 0.53097(19) 0.25674(16) 0.45509(8) 0.0250(6) Uani 1 1 d . U . . .
C118 C 0.5682(2) 0.32458(16) 0.42869(9) 0.0277(6) Uani 1 1 d . U . . .
C119 C 0.6138(2) 0.40499(18) 0.44800(10) 0.0373(7) Uani 1 1 d . U . . .
H119 H 0.6196 0.4166 0.4779 0.056 Uiso 1 1 calc R . . . .
C120 C 0.6512(3) 0.4687(2) 0.42391(11) 0.0487(8) Uani 1 1 d . U . . .
H120 H 0.6822 0.5225 0.4376 0.073 Uiso 1 1 calc R . . . .
C121 C 0.6422(3) 0.4520(2) 0.37944(11) 0.0521(9) Uani 1 1 d . U . . .
C122 C 0.5984(3) 0.3715(2) 0.35966(10) 0.0498(9) Uani 1 1 d . U . . .
H122 H 0.5938 0.3599 0.3298 0.075 Uiso 1 1 calc R . . . .
C123 C 0.5613(2) 0.30828(19) 0.38406(9) 0.0370(7) Uani 1 1 d . U . . .
H123 H 0.5315 0.2543 0.3705 0.056 Uiso 1 1 calc R . . . .
C124 C 0.7196(4) 0.5955(3) 0.37177(18) 0.0970(16) Uani 1 1 d . U . . .
H12A H 0.7362 0.6307 0.3494 0.146 Uiso 1 1 calc GR . . . .
H12B H 0.7745 0.6007 0.3927 0.146 Uiso 1 1 calc GR . . . .
H12C H 0.6775 0.6115 0.3861 0.146 Uiso 1 1 calc GR . . . .
C125 C 0.62698(17) 0.05729(15) 0.37823(8) 0.0204(5) Uani 1 1 d . U . . .
C126 C 0.64958(18) 0.09622(15) 0.33851(8) 0.0214(5) Uani 1 1 d . U . . .
C127 C 0.59605(19) 0.13880(16) 0.31811(8) 0.0251(6) Uani 1 1 d . U . . .
H127 H 0.5446 0.1406 0.3288 0.038 Uiso 1 1 calc R . . . .
C128 C 0.61836(19) 0.17875(17) 0.28192(9) 0.0274(6) Uani 1 1 d . U . . .
H128 H 0.5821 0.2071 0.2682 0.041 Uiso 1 1 calc R . . . .
C129 C 0.69537(19) 0.17603(17) 0.26638(8) 0.0272(6) Uani 1 1 d . U . . .
C130 C 0.74870(19) 0.13253(18) 0.28632(9) 0.0297(6) Uani 1 1 d . U . . .
H130 H 0.8000 0.1306 0.2755 0.045 Uiso 1 1 calc R . . . .
C131 C 0.72583(19) 0.09233(17) 0.32202(8) 0.0261(6) Uani 1 1 d . U . . .
H131 H 0.7611 0.0626 0.3351 0.039 Uiso 1 1 calc R . . . .
C132 C 0.6735(2) 0.2608(2) 0.20999(11) 0.0490(9) Uani 1 1 d . U . . .
H13A H 0.7022 0.2851 0.1866 0.073 Uiso 1 1 calc GR . . . .
H13B H 0.6738 0.3038 0.2307 0.073 Uiso 1 1 calc GR . . . .
H13C H 0.6106 0.2253 0.1983 0.073 Uiso 1 1 calc GR . . . .
C133 C 0.20591(18) 0.00055(16) 0.47488(8) 0.0256(6) Uani 1 1 d . U . . .
C134 C 0.13556(19) 0.03286(18) 0.45249(9) 0.0283(6) Uani 1 1 d . U . . .
C135 C 0.0836(2) 0.06242(19) 0.47647(9) 0.0335(6) Uani 1 1 d . U . . .
H135 H 0.0929 0.0610 0.5066 0.050 Uiso 1 1 calc R . . . .
C136 C 0.0189(2) 0.0936(2) 0.45660(10) 0.0378(7) Uani 1 1 d . U . . .
H136 H -0.0158 0.1126 0.4731 0.057 Uiso 1 1 calc R . . . .
C137 C 0.0057(2) 0.09677(19) 0.41202(10) 0.0353(7) Uani 1 1 d . U . . .
C138 C 0.0583(2) 0.0690(2) 0.38755(10) 0.0435(8) Uani 1 1 d . U . . .
H138 H 0.0498 0.0719 0.3576 0.065 Uiso 1 1 calc R . . . .
C139 C 0.1228(2) 0.0370(2) 0.40754(9) 0.0379(7) Uani 1 1 d . U . . .
H139 H 0.1577 0.0182 0.3911 0.057 Uiso 1 1 calc R . . . .
C140 C -0.1035(2) 0.1650(2) 0.41415(12) 0.0480(8) Uani 1 1 d . U . . .
H14A H -0.1412 0.1881 0.3950 0.072 Uiso 1 1 calc GR . . . .
H14B H -0.0586 0.2082 0.4351 0.072 Uiso 1 1 calc GR . . . .
H14C H -0.1423 0.1240 0.4291 0.072 Uiso 1 1 calc GR . . . .
C141 C 0.1967(3) -0.2796(3) 0.3844(2) 0.0289(16) Uani 0.449(4) 1 d . U P A 1
C142 C 0.1723(3) -0.3653(3) 0.3785(2) 0.0346(16) Uani 0.449(4) 1 d G U P A 1
H142 H 0.2158 -0.3897 0.3884 0.052 Uiso 0.449(4) 1 calc R . P A 1
C143 C 0.0828(4) -0.4147(3) 0.3577(2) 0.0412(17) Uani 0.449(4) 1 d G U P A 1
H143 H 0.0665 -0.4720 0.3537 0.062 Uiso 0.449(4) 1 calc R . P A 1
C144 C 0.0177(3) -0.3783(4) 0.3429(2) 0.0499(18) Uani 0.449(4) 1 d G U P A 1
C145 C 0.0421(3) -0.2926(4) 0.3489(2) 0.0583(19) Uani 0.449(4) 1 d G U P A 1
H145 H -0.0014 -0.2682 0.3390 0.088 Uiso 0.449(4) 1 calc R . P A 1
C146 C 0.1316(4) -0.2432(3) 0.3697(2) 0.0470(19) Uani 0.449(4) 1 d G U P A 1
H146 H 0.1479 -0.1859 0.3736 0.071 Uiso 0.449(4) 1 calc R . P A 1
C14A C 0.2089(2) -0.2969(2) 0.39095(19) 0.0255(13) Uani 0.551(4) 1 d . U P A 2
C14B C 0.2003(2) -0.3800(2) 0.38758(17) 0.0283(12) Uani 0.551(4) 1 d G U P A 2
H14D H 0.2518 -0.3950 0.3968 0.043 Uiso 0.551(4) 1 calc R . P A 2
C14C C 0.1145(3) -0.44074(18) 0.37039(14) 0.0325(12) Uani 0.551(4) 1 d G U P A
2
H14E H 0.1087 -0.4964 0.3681 0.049 Uiso 0.551(4) 1 calc R . P A 2
C14D C 0.0375(2) -0.4183(2) 0.35658(14) 0.0346(13) Uani 0.551(4) 1 d G U P A 2
C14E C 0.0461(2) -0.3352(3) 0.35996(15) 0.0400(13) Uani 0.551(4) 1 d G U P A 2
H14F H -0.0054 -0.3202 0.3507 0.060 Uiso 0.551(4) 1 calc R . P A 2
C14F C 0.1319(3) -0.27446(18) 0.37714(17) 0.0326(13) Uani 0.551(4) 1 d G U P A
2
H14G H 0.1376 -0.2188 0.3794 0.049 Uiso 0.551(4) 1 calc R . P A 2
C148 C 0.2959(2) -0.22972(17) 0.40854(8) 0.0277(6) Uani 1 1 d . U . . .
C147 C -0.0964(8) -0.5032(5) 0.3067(4) 0.103(3) Uani 0.551(4) 1 d D U P A 1
H14H H -0.0699 -0.5113 0.2820 0.154 Uiso 0.551(4) 1 calc GR . P A 1
H14I H -0.1627 -0.5292 0.2991 0.154 Uiso 0.551(4) 1 calc GR . P A 1
H14J H -0.0724 -0.5274 0.3308 0.154 Uiso 0.551(4) 1 calc GR . P A 1
C14G C -0.1254(6) -0.4654(8) 0.3260(5) 0.120(4) Uani 0.551(4) 1 d D U P A 2
H14K H -0.1203 -0.4386 0.2998 0.180 Uiso 0.551(4) 1 calc GR . P A 2
H14L H -0.1344 -0.4298 0.3480 0.180 Uiso 0.551(4) 1 calc GR . P A 2
H14M H -0.1773 -0.5166 0.3200 0.180 Uiso 0.551(4) 1 calc GR . P A 2
C149 C 0.2800(3) 0.2543(3) 0.50463(16) 0.0740(12) Uani 1 1 d . U . . .
H14N H 0.2543 0.2208 0.4769 0.111 Uiso 1 1 calc GR . . . .
H14O H 0.2899 0.2199 0.5269 0.111 Uiso 1 1 calc GR . . . .
H14P H 0.3381 0.2961 0.5031 0.111 Uiso 1 1 calc GR . . . .
C150 C 0.2184(3) 0.2921(3) 0.51468(15) 0.0663(11) Uani 1 1 d . U . . .
C151 C 0.8034(7) 0.7670(4) 0.7505(2) 0.112(2) Uani 1 1 d . U . . .
C152 C 0.9070(6) 0.8089(5) 0.7589(3) 0.179(4) Uani 1 1 d . U . . .
H15G H 0.9324 0.7829 0.7390 0.269 Uiso 1 1 calc GR . . . .
H15H H 0.9330 0.8042 0.7884 0.269 Uiso 1 1 calc GR . . . .
H15I H 0.9220 0.8665 0.7546 0.269 Uiso 1 1 calc GR . . . .
C153 C 0.7751(12) 0.6737(10) 0.8848(5) 0.151(4) Uani 0.551(4) 1 d D U P A 1
C154 C 0.8156(10) 0.7493(9) 0.8647(4) 0.162(5) Uani 0.551(4) 1 d D U P A 1
H15A H 0.8453 0.7371 0.8421 0.243 Uiso 0.551(4) 1 calc GR . P A 1
H15B H 0.8606 0.7907 0.8865 0.243 Uiso 0.551(4) 1 calc GR . P A 1
H15C H 0.7675 0.7694 0.8524 0.243 Uiso 0.551(4) 1 calc GR . P A 1
C15A C 0.8215(9) 0.6723(9) 0.8490(4) 0.113(4) Uani 0.449(4) 1 d D U P A 2
H15D H 0.7944 0.6846 0.8214 0.169 Uiso 0.449(4) 1 calc GR . P A 2
H15E H 0.8448 0.6283 0.8443 0.169 Uiso 0.449(4) 1 calc GR . P A 2
H15F H 0.8716 0.7209 0.8636 0.169 Uiso 0.449(4) 1 calc GR . P A 2
C15B C 0.7496(15) 0.6461(19) 0.8766(6) 0.173(6) Uiso 0.449(4) 1 d D U P A 2
N1 N 0.1698(4) 0.3215(4) 0.5239(2) 0.155(3) Uani 1 1 d . . . . .
N2 N 0.7205(5) 0.7317(5) 0.7414(2) 0.142(2) Uani 1 1 d . . . . .
N3 N 0.7304(6) 0.6354(5) 0.9105(3) 0.187(4) Uani 1 1 d D . . . .
O1 O 0.84774(11) 0.45996(11) 0.85864(5) 0.0216(4) Uani 1 1 d . . . . .
O2 O 0.77502(11) 0.44219(10) 0.91501(5) 0.0183(3) Uani 1 1 d . . . . .
O3 O 0.42676(13) 0.35473(13) 0.76308(6) 0.0348(5) Uani 1 1 d . . . . .
O4 O 0.95228(11) 0.28957(10) 0.92589(5) 0.0194(4) Uani 1 1 d . . . . .
O5 O 0.81403(11) 0.30275(10) 0.92523(5) 0.0178(3) Uani 1 1 d . . . . .
O6 O 0.68857(18) -0.07077(12) 0.84403(8) 0.0526(6) Uani 1 1 d D . . . .
O7 O 0.75826(11) 0.35706(9) 0.99363(5) 0.0172(3) Uani 1 1 d . . . . .
O8 O 0.79430(11) 0.25292(10) 1.02196(5) 0.0199(4) Uani 1 1 d . . . . .
O9 O 0.36699(13) 0.08391(12) 0.93015(6) 0.0332(4) Uani 1 1 d . . . . .
O10 O 0.87687(11) 0.51274(9) 0.99774(5) 0.0152(3) Uani 1 1 d . . . . .
O11 O 1.03785(11) 0.54575(9) 1.06466(5) 0.0147(3) Uani 1 1 d . . . . .
O12 O 0.88784(11) 0.58806(10) 1.08007(5) 0.0194(4) Uani 1 1 d . . . . .
O13 O 0.90730(11) 0.67936(10) 1.00678(5) 0.0198(4) Uani 1 1 d . . . . .
O14 O 1.05719(11) 0.62389(9) 1.00012(5) 0.0141(3) Uani 1 1 d . . . . .
O15 O 0.96334(12) 0.55587(10) 1.13981(5) 0.0209(4) Uani 1 1 d . . . . .
O16 O 0.75519(14) 0.76437(13) 1.22345(6) 0.0370(5) Uani 1 1 d . . . . .
O17 O 1.00850(12) 0.75673(10) 0.96950(6) 0.0224(4) Uani 1 1 d . . . . .
O18 O 0.81588(15) 1.00689(12) 1.02100(7) 0.0368(5) Uani 1 1 d . . . . .
O19 O 1.09184(12) 0.75283(11) 0.90286(6) 0.0250(4) Uani 1 1 d . . . . .
O20 O 1.21666(14) 0.77085(12) 0.87357(7) 0.0378(5) Uani 1 1 d . . . . .
O21 O 1.09160(17) 1.06422(14) 0.80476(8) 0.0503(6) Uani 1 1 d . . . . .
O22 O 0.98865(12) 0.57368(11) 0.83340(5) 0.0249(4) Uani 1 1 d . . . . .
O23 O 1.12409(14) 0.60906(16) 0.81185(6) 0.0452(6) Uani 1 1 d . . . . .
O24 O 0.84979(17) 0.64178(16) 0.64350(7) 0.0525(6) Uani 1 1 d . . . . .
O25 O 1.10283(11) 0.59580(10) 0.91772(5) 0.0159(3) Uani 1 1 d . . . . .
O26 O 0.95017(11) 0.60677(10) 0.91547(5) 0.0167(3) Uani 1 1 d . . . . .
O27 O 0.35435(13) 0.13600(13) 0.65997(6) 0.0359(5) Uani 1 1 d . . . . .
O28 O 0.29448(13) 0.12107(11) 0.58835(6) 0.0274(4) Uani 1 1 d . . . . .
O29 O -0.0518(2) 0.1322(2) 0.66267(10) 0.0780(8) Uani 1 1 d . U . . .
O30 O 0.47414(12) 0.11736(10) 0.58429(5) 0.0195(4) Uani 1 1 d . . . . .
O31 O 0.48218(14) 0.28196(11) 0.57376(6) 0.0282(4) Uani 1 1 d . . . . .
O32 O 0.53501(15) 0.30911(12) 0.64591(6) 0.0342(5) Uani 1 1 d . . . . .
O33 O 0.38554(12) 0.13647(10) 0.51549(5) 0.0219(4) Uani 1 1 d . . . . .
O34 O 0.56116(12) 0.12581(10) 0.51226(5) 0.0187(3) Uani 1 1 d . . . . .
O35 O 0.53657(14) 0.27356(11) 0.49530(6) 0.0291(4) Uani 1 1 d . . . . .
O36 O 0.64874(18) 0.67064(13) 0.58419(8) 0.0536(6) Uani 1 1 d . . . . .
O37 O 0.49499(12) 0.18231(10) 0.43601(5) 0.0240(4) Uani 1 1 d . . . . .
O38 O 0.6751(2) 0.50975(18) 0.35223(9) 0.0726(8) Uani 1 1 d . U . . .
O39 O 0.55591(12) 0.06298(11) 0.39123(5) 0.0214(4) Uani 1 1 d . . . . .
O40 O 0.67746(12) 0.02099(11) 0.39754(5) 0.0227(4) Uani 1 1 d . . . . .
O41 O 0.72408(14) 0.21310(13) 0.23129(6) 0.0376(5) Uani 1 1 d . . . . .
O42 O 0.38567(11) -0.02615(10) 0.52533(5) 0.0180(3) Uani 1 1 d . . . . .
O43 O 0.42674(12) 0.01124(10) 0.44262(5) 0.0197(4) Uani 1 1 d . . . . .
O44 O 0.30765(12) -0.15182(11) 0.41132(5) 0.0245(4) Uani 1 1 d . . . . .
O45 O 0.35970(14) -0.25614(11) 0.42227(6) 0.0304(4) Uani 1 1 d . . . . .
O46 O 0.24890(12) -0.17295(11) 0.48575(5) 0.0237(4) Uani 1 1 d . . . . .
O47 O 0.33187(12) -0.18585(10) 0.54909(5) 0.0233(4) Uani 1 1 d . . . . .
O48 O -0.04676(17) -0.46873(14) 0.55351(9) 0.0582(7) Uani 1 1 d . . . . .
O49 O -0.05641(15) 0.12690(15) 0.38897(7) 0.0460(6) Uani 1 1 d . . . . .
O50 O 0.22274(12) 0.00689(12) 0.51626(5) 0.0272(4) Uani 1 1 d . . . . .
O51 O 0.24721(12) -0.03031(11) 0.45122(5) 0.0252(4) Uani 1 1 d . . . . .
O52 O -0.0732(6) -0.4179(5) 0.3184(3) 0.106(2) Uani 0.551(4) 1 d D U P A 1
O52A O -0.0428(3) -0.4819(3) 0.34114(16) 0.0392(13) Uani 0.449(4) 1 d D U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P1 2.3565(6) . ?
Ag1 O20 2.4233(19) . ?
Ag1 O23 2.351(2) . ?
Ag1 O25 2.3287(15) . ?
Ag2 P2 2.3588(7) . ?
Ag2 O27 2.3262(19) . ?
Ag2 O30 2.3457(16) . ?
Ag2 O32 2.4083(19) . ?
Ti1 Ti2 2.9431(6) 2_767 ?
Ti1 O2 1.9783(16) . ?
Ti1 O5 2.1230(16) . ?
Ti1 O7 1.9676(16) . ?
Ti1 O10 1.7976(16) . ?
Ti1 O11 1.9245(16) 2_767 ?
Ti1 O14 1.9424(15) 2_767 ?
Ti2 Ti1 2.9432(6) 2_767 ?
Ti2 O4 2.1263(17) 2_767 ?
Ti2 O10 1.8010(16) . ?
Ti2 O11 1.9198(15) . ?
Ti2 O12 1.9657(16) . ?
Ti2 O13 1.9806(16) . ?
Ti2 O14 1.9247(16) . ?
Ti3 O1 2.0811(17) . ?
Ti3 O11 1.9826(15) 2_767 ?
Ti3 O15 2.1247(17) 2_767 ?
Ti3 O22 1.9288(17) . ?
Ti3 O25 1.8642(17) . ?
Ti3 O26 1.8239(16) . ?
Ti4 O8 2.1689(17) 2_767 ?
Ti4 O14 1.9674(15) . ?
Ti4 O17 2.1149(17) . ?
Ti4 O19 1.9324(17) . ?
Ti4 O25 1.8455(16) . ?
Ti4 O26 1.8287(17) . ?
Ti5 O28 1.9566(18) . ?
Ti5 O30 1.8395(17) . ?
Ti5 O33 1.8448(16) . ?
Ti5 O40 2.0937(17) 2_656 ?
Ti5 O42 1.9896(16) . ?
Ti5 O50 2.0768(18) . ?
Ti6 O30 1.8679(16) . ?
Ti6 O31 1.9392(18) . ?
Ti6 O33 1.8114(18) . ?
Ti6 O34 1.9761(17) . ?
Ti6 O35 2.1037(17) . ?
Ti6 O45 2.101(2) 2_656 ?
Ti7 Ti8 2.9415(6) 2_656 ?
Ti7 O34 1.9274(17) 2_656 ?
Ti7 O42 1.9158(16) . ?
Ti7 O43 1.8197(17) . ?
Ti7 O44 1.9778(17) . ?
Ti7 O46 2.1034(17) . ?
Ti7 O51 1.9965(18) . ?
Ti8 Ti7 2.9415(6) 2_656 ?
Ti8 O34 1.9272(16) . ?
Ti8 O37 1.9886(17) . ?
Ti8 O39 1.9753(16) . ?
Ti8 O42 1.9351(16) 2_656 ?
Ti8 O43 1.7933(17) . ?
Ti8 O47 2.1242(18) 2_656 ?
P1 C57 1.823(3) . ?
P1 C63 1.830(3) . ?
P1 C69 1.824(2) . ?
P2 C75 1.820(3) . ?
P2 C81 1.819(3) . ?
P2 C92 1.827(3) . ?
C1 C2 1.479(3) . ?
C1 O1 1.259(3) . ?
C1 O2 1.275(3) . ?
C2 C3 1.391(4) . ?
C2 C7 1.392(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.371(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.397(4) . ?
C5 C6 1.389(4) . ?
C5 O3 1.351(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.382(4) . ?
C7 H7 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 O3 1.424(3) . ?
C9 C10 1.489(3) . ?
C9 O4 1.268(3) . ?
C9 O5 1.264(3) . ?
C10 C11 1.386(4) . ?
C10 C15 1.389(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.386(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.383(4) . ?
C13 C14 1.389(4) . ?
C13 O6 1.353(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.380(4) . ?
C15 H15 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 O6 1.367(5) . ?
C16A H16D 0.9600 . ?
C16A H16E 0.9600 . ?
C16A H16F 0.9600 . ?
C16A O6 1.374(8) . ?
C17 C18 1.477(3) . ?
C17 O7 1.285(3) . ?
C17 O8 1.255(3) . ?
C18 C19 1.397(4) . ?
C18 C23 1.377(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.372(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.391(4) . ?
C21 C22 1.384(4) . ?
C21 O9 1.359(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.384(4) . ?
C23 H23 0.9300 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C24 O9 1.424(3) . ?
C25 C26 1.493(4) . ?
C25 O22 1.295(3) . ?
C25 O23 1.221(3) . ?
C26 C27 1.385(4) . ?
C26 C31 1.384(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.397(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.371(4) . ?
C29 C30 1.384(4) . ?
C29 O24 1.367(3) . ?
C30 H30 0.9300 . ?
C30 C31 1.377(4) . ?
C31 H31 0.9300 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C32 O24 1.415(4) . ?
C33 C34 1.476(3) . ?
C33 O12 1.280(3) . ?
C33 O15 1.259(3) . ?
C34 C35 1.399(3) . ?
C34 C39 1.388(4) . ?
C35 H35 0.9300 . ?
C35 C36 1.376(4) . ?
C36 H36 0.9300 . ?
C36 C37 1.394(4) . ?
C37 C38 1.388(4) . ?
C37 O16 1.356(3) . ?
C38 H38 0.9300 . ?
C38 C39 1.385(4) . ?
C39 H39 0.9300 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C40 O16 1.431(4) . ?
C41 C42 1.482(3) . ?
C41 O13 1.273(3) . ?
C41 O17 1.253(3) . ?
C42 C43 1.390(4) . ?
C42 C47 1.380(4) . ?
C43 H43 0.9300 . ?
C43 C44 1.378(4) . ?
C44 H44 0.9300 . ?
C44 C45 1.388(4) . ?
C45 C46 1.379(4) . ?
C45 O18 1.360(3) . ?
C46 H46 0.9300 . ?
C46 C47 1.382(4) . ?
C47 H47 0.9300 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C48 O18 1.430(4) . ?
C49 C50 1.491(3) . ?
C49 O19 1.287(3) . ?
C49 O20 1.229(3) . ?
C50 C51 1.380(4) . ?
C50 C55 1.392(4) . ?
C51 H51 0.9300 . ?
C51 C52 1.386(4) . ?
C52 H52 0.9300 . ?
C52 C53 1.380(4) . ?
C53 C54 1.389(4) . ?
C53 O21 1.368(3) . ?
C54 H54 0.9300 . ?
C54 C55 1.383(4) . ?
C55 H55 0.9300 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C56 O21 1.428(4) . ?
C57 C58 1.383(4) . ?
C57 C62 1.388(4) . ?
C58 H58 0.9300 . ?
C58 C59 1.387(4) . ?
C59 H59 0.9300 . ?
C59 C60 1.366(5) . ?
C60 H60 0.9300 . ?
C60 C61 1.372(4) . ?
C61 H61 0.9300 . ?
C61 C62 1.384(4) . ?
C62 H62 0.9300 . ?
C63 C64 1.383(4) . ?
C63 C68 1.381(4) . ?
C64 H64 0.9300 . ?
C64 C65 1.395(4) . ?
C65 H65 0.9300 . ?
C65 C66 1.373(5) . ?
C66 H66 0.9300 . ?
C66 C67 1.369(5) . ?
C67 H67 0.9300 . ?
C67 C68 1.381(4) . ?
C68 H68 0.9300 . ?
C69 C70 1.392(4) . ?
C69 C74 1.391(4) . ?
C70 H70 0.9300 . ?
C70 C71 1.382(4) . ?
C71 H71 0.9300 . ?
C71 C72 1.379(4) . ?
C72 H72 0.9300 . ?
C72 C73 1.380(4) . ?
C73 H73 0.9300 . ?
C73 C74 1.388(4) . ?
C74 H74 0.9300 . ?
C75 C76 1.395(4) . ?
C75 C80 1.389(4) . ?
C76 H76 0.9300 . ?
C76 C77 1.384(4) . ?
C77 H77 0.9300 . ?
C77 C78 1.381(4) . ?
C78 H78 0.9300 . ?
C78 C79 1.375(4) . ?
C79 H79 0.9300 . ?
C79 C80 1.388(4) . ?
C80 H80 0.9300 . ?
C81 C82 1.392(4) . ?
C81 C86 1.384(4) . ?
C82 H82 0.9300 . ?
C82 C83 1.380(4) . ?
C83 H83 0.9300 . ?
C83 C84 1.374(4) . ?
C84 H84 0.9300 . ?
C84 C85 1.381(5) . ?
C85 H85 0.9300 . ?
C85 C86 1.384(4) . ?
C86 H86 0.9300 . ?
C87 H87 0.9300 . ?
C87 C88 1.382(4) . ?
C87 C92 1.391(4) . ?
C88 H88 0.9300 . ?
C88 C89 1.380(4) . ?
C89 H89 0.9300 . ?
C89 C90 1.371(4) . ?
C90 H90 0.9300 . ?
C90 C91 1.389(4) . ?
C91 H91 0.9300 . ?
C91 C92 1.388(4) . ?
C93 C94 1.483(4) . ?
C93 O27 1.232(3) . ?
C93 O28 1.301(3) . ?
C94 C95 1.389(4) . ?
C94 C99 1.389(4) . ?
C95 H95 0.9300 . ?
C95 C96 1.376(5) . ?
C96 H96 0.9300 . ?
C96 C97 1.392(5) . ?
C97 C98 1.374(5) . ?
C97 O29 1.367(4) . ?
C98 H98 0.9300 . ?
C98 C99 1.390(4) . ?
C99 H99 0.9300 . ?
C100 H10A 0.9600 . ?
C100 H10B 0.9600 . ?
C100 H10C 0.9600 . ?
C100 O29 1.444(5) . ?
C101 C102 1.490(4) . ?
C101 O46 1.265(3) . ?
C101 O47 1.266(3) . ?
C102 C103 1.381(4) . ?
C102 C107 1.393(4) . ?
C103 H103 0.9300 . ?
C103 C104 1.392(4) . ?
C104 H104 0.9300 . ?
C104 C105 1.387(5) . ?
C105 C106 1.385(5) . ?
C105 O48 1.365(4) . ?
C106 H106 0.9300 . ?
C106 C107 1.383(4) . ?
C107 H107 0.9300 . ?
C108 H10D 0.9600 . ?
C108 H10E 0.9600 . ?
C108 H10F 0.9600 . ?
C108 O48 1.429(5) . ?
C109 C110 1.488(4) . ?
C109 O31 1.301(3) . ?
C109 O32 1.233(3) . ?
C110 C111 1.389(4) . ?
C110 C115 1.386(4) . ?
C111 H111 0.9300 . ?
C111 C112 1.389(4) . ?
C112 H112 0.9300 . ?
C112 C113 1.381(4) . ?
C113 C114 1.385(4) . ?
C113 O36 1.365(3) . ?
C114 H114 0.9300 . ?
C114 C115 1.377(4) . ?
C115 H115 0.9300 . ?
C116 H11A 0.9600 . ?
C116 H11B 0.9600 . ?
C116 H11C 0.9600 . ?
C116 O36 1.420(4) . ?
C117 C118 1.476(4) . ?
C117 O35 1.258(3) . ?
C117 O37 1.283(3) . ?
C118 C119 1.379(4) . ?
C118 C123 1.389(4) . ?
C119 H119 0.9300 . ?
C119 C120 1.381(4) . ?
C120 H120 0.9300 . ?
C120 C121 1.380(5) . ?
C121 C122 1.383(5) . ?
C121 O38 1.363(4) . ?
C122 H122 0.9300 . ?
C122 C123 1.380(4) . ?
C123 H123 0.9300 . ?
C124 H12A 0.9600 . ?
C124 H12B 0.9600 . ?
C124 H12C 0.9600 . ?
C124 O38 1.455(6) . ?
C125 C126 1.477(3) . ?
C125 O39 1.276(3) . ?
C125 O40 1.257(3) . ?
C126 C127 1.384(4) . ?
C126 C131 1.395(4) . ?
C127 H127 0.9300 . ?
C127 C128 1.385(4) . ?
C128 H128 0.9300 . ?
C128 C129 1.385(4) . ?
C129 C130 1.388(4) . ?
C129 O41 1.361(3) . ?
C130 H130 0.9300 . ?
C130 C131 1.376(4) . ?
C131 H131 0.9300 . ?
C132 H13A 0.9600 . ?
C132 H13B 0.9600 . ?
C132 H13C 0.9600 . ?
C132 O41 1.431(4) . ?
C133 C134 1.479(4) . ?
C133 O50 1.267(3) . ?
C133 O51 1.266(3) . ?
C134 C135 1.389(4) . ?
C134 C139 1.393(4) . ?
C135 H135 0.9300 . ?
C135 C136 1.369(4) . ?
C136 H136 0.9300 . ?
C136 C137 1.379(4) . ?
C137 C138 1.390(4) . ?
C137 O49 1.365(3) . ?
C138 H138 0.9300 . ?
C138 C139 1.377(4) . ?
C139 H139 0.9300 . ?
C140 H14A 0.9600 . ?
C140 H14B 0.9600 . ?
C140 H14C 0.9600 . ?
C140 O49 1.437(4) . ?
C141 C142 1.3900 . ?
C141 C146 1.3900 . ?
C141 C148 1.532(5) . ?
C142 H142 0.9300 . ?
C142 C143 1.3900 . ?
C143 H143 0.9300 . ?
C143 C144 1.3900 . ?
C144 C145 1.3900 . ?
C144 O52 1.413(9) . ?
C145 H145 0.9300 . ?
C145 C146 1.3900 . ?
C146 H146 0.9300 . ?
C14A C14B 1.3900 . ?
C14A C14F 1.3900 . ?
C14A C148 1.453(4) . ?
C14B H14D 0.9300 . ?
C14B C14C 1.3900 . ?
C14C H14E 0.9300 . ?
C14C C14D 1.3900 . ?
C14D C14E 1.3900 . ?
C14D O52A 1.350(5) . ?
C14E H14F 0.9300 . ?
C14E C14F 1.3900 . ?
C14F H14G 0.9300 . ?
C148 O44 1.289(3) . ?
C148 O45 1.249(3) . ?
C147 H14H 0.9600 . ?
C147 H14I 0.9600 . ?
C147 H14J 0.9600 . ?
C147 O52 1.404(8) . ?
C14G H14K 0.9600 . ?
C14G H14L 0.9600 . ?
C14G H14M 0.9600 . ?
C14G O52A 1.420(8) . ?
C149 H14N 0.9600 . ?
C149 H14O 0.9600 . ?
C149 H14P 0.9600 . ?
C149 C150 1.398(6) . ?
C150 N1 1.111(6) . ?
C151 C152 1.502(11) . ?
C151 N2 1.205(9) . ?
C152 H15G 0.9600 . ?
C152 H15H 0.9600 . ?
C152 H15I 0.9600 . ?
C153 C154 1.463(9) . ?
C153 N3 1.225(9) . ?
C154 H15A 0.9600 . ?
C154 H15B 0.9600 . ?
C154 H15C 0.9600 . ?
C15A H15D 0.9600 . ?
C15A H15E 0.9600 . ?
C15A H15F 0.9600 . ?
C15A C15B 1.494(9) . ?
C15B N3 1.158(9) . ?
O4 Ti2 2.1262(16) 2_767 ?
O8 Ti4 2.1689(17) 2_767 ?
O11 Ti1 1.9246(16) 2_767 ?
O11 Ti3 1.9826(15) 2_767 ?
O14 Ti1 1.9424(15) 2_767 ?
O15 Ti3 2.1247(17) 2_767 ?
O34 Ti7 1.9273(17) 2_656 ?
O40 Ti5 2.0936(17) 2_656 ?
O42 Ti8 1.9352(16) 2_656 ?
O45 Ti6 2.101(2) 2_656 ?
O47 Ti8 2.1242(18) 2_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 O20 119.25(5) . . ?
O23 Ag1 P1 123.75(6) . . ?
O23 Ag1 O20 79.98(8) . . ?
O25 Ag1 P1 133.43(4) . . ?
O25 Ag1 O20 92.38(6) . . ?
O25 Ag1 O23 92.88(6) . . ?
P2 Ag2 O32 119.30(5) . . ?
O27 Ag2 P2 117.98(5) . . ?
O27 Ag2 O30 90.65(6) . . ?
O27 Ag2 O32 93.60(7) . . ?
O30 Ag2 P2 131.64(4) . . ?
O30 Ag2 O32 94.56(6) . . ?
O2 Ti1 Ti2 129.26(5) . 2_767 ?
O2 Ti1 O5 81.88(6) . . ?
O5 Ti1 Ti2 80.49(5) . 2_767 ?
O7 Ti1 Ti2 128.00(5) . 2_767 ?
O7 Ti1 O2 95.62(7) . . ?
O7 Ti1 O5 81.91(7) . . ?
O10 Ti1 Ti2 107.84(5) . 2_767 ?
O10 Ti1 O2 94.39(7) . . ?
O10 Ti1 O5 171.25(7) . . ?
O10 Ti1 O7 90.62(7) . . ?
O10 Ti1 O11 100.53(7) . 2_767 ?
O10 Ti1 O14 100.09(7) . 2_767 ?
O11 Ti1 Ti2 39.98(5) 2_767 2_767 ?
O11 Ti1 O2 92.26(7) 2_767 . ?
O11 Ti1 O5 87.57(6) 2_767 . ?
O11 Ti1 O7 165.82(7) 2_767 . ?
O11 Ti1 O14 79.80(6) 2_767 2_767 ?
O14 Ti1 Ti2 40.22(5) 2_767 2_767 ?
O14 Ti1 O2 164.52(7) 2_767 . ?
O14 Ti1 O5 84.50(6) 2_767 . ?
O14 Ti1 O7 89.70(7) 2_767 . ?
O4 Ti2 Ti1 80.47(5) 2_767 2_767 ?
O10 Ti2 Ti1 106.04(5) . 2_767 ?
O10 Ti2 O4 172.76(7) . 2_767 ?
O10 Ti2 O11 100.05(7) . . ?
O10 Ti2 O12 95.02(7) . . ?
O10 Ti2 O13 92.74(7) . . ?
O10 Ti2 O14 97.68(7) . . ?
O11 Ti2 Ti1 40.10(5) . 2_767 ?
O11 Ti2 O4 86.97(7) . 2_767 ?
O11 Ti2 O12 91.50(7) . . ?
O11 Ti2 O13 166.39(7) . . ?
O11 Ti2 O14 80.37(6) . . ?
O12 Ti2 Ti1 129.13(5) . 2_767 ?
O12 Ti2 O4 82.93(7) . 2_767 ?
O12 Ti2 O13 92.00(7) . . ?
O13 Ti2 Ti1 131.33(5) . 2_767 ?
O13 Ti2 O4 80.42(7) . 2_767 ?
O14 Ti2 Ti1 40.67(5) . 2_767 ?
O14 Ti2 O4 85.19(7) . 2_767 ?
O14 Ti2 O12 165.94(7) . . ?
O14 Ti2 O13 93.41(7) . . ?
O1 Ti3 O15 92.70(7) . 2_767 ?
O11 Ti3 O1 85.51(7) 2_767 . ?
O11 Ti3 O15 86.49(6) 2_767 2_767 ?
O22 Ti3 O1 83.40(7) . . ?
O22 Ti3 O11 164.78(8) . 2_767 ?
O22 Ti3 O15 83.65(7) . 2_767 ?
O25 Ti3 O1 175.48(7) . . ?
O25 Ti3 O11 94.61(7) . 2_767 ?
O25 Ti3 O15 91.82(7) . 2_767 ?
O25 Ti3 O22 97.26(7) . . ?
O26 Ti3 O1 92.57(7) . . ?
O26 Ti3 O11 94.04(7) . 2_767 ?
O26 Ti3 O15 174.73(7) . 2_767 ?
O26 Ti3 O22 96.84(7) . . ?
O26 Ti3 O25 82.91(7) . . ?
O14 Ti4 O8 84.24(6) . 2_767 ?
O14 Ti4 O17 86.62(6) . . ?
O17 Ti4 O8 92.87(7) . 2_767 ?
O19 Ti4 O8 82.87(7) . 2_767 ?
O19 Ti4 O14 162.01(8) . . ?
O19 Ti4 O17 81.55(7) . . ?
O25 Ti4 O8 93.63(7) . 2_767 ?
O25 Ti4 O14 96.65(7) . . ?
O25 Ti4 O17 172.98(7) . . ?
O25 Ti4 O19 96.64(7) . . ?
O26 Ti4 O8 176.93(7) . 2_767 ?
O26 Ti4 O14 95.92(7) . . ?
O26 Ti4 O17 90.20(7) . . ?
O26 Ti4 O19 97.63(7) . . ?
O26 Ti4 O25 83.30(7) . . ?
O28 Ti5 O40 82.42(7) . 2_656 ?
O28 Ti5 O42 163.98(8) . . ?
O28 Ti5 O50 85.07(8) . . ?
O30 Ti5 O28 97.26(8) . . ?
O30 Ti5 O33 83.31(8) . . ?
O30 Ti5 O40 94.60(7) . 2_656 ?
O30 Ti5 O42 93.79(7) . . ?
O30 Ti5 O50 172.63(7) . . ?
O33 Ti5 O28 97.57(7) . . ?
O33 Ti5 O40 177.89(8) . 2_656 ?
O33 Ti5 O42 95.21(7) . . ?
O33 Ti5 O50 89.46(8) . . ?
O42 Ti5 O40 85.17(7) . 2_656 ?
O42 Ti5 O50 85.42(7) . . ?
O50 Ti5 O40 92.64(7) . 2_656 ?
O30 Ti6 O31 96.15(7) . . ?
O30 Ti6 O34 93.74(7) . . ?
O30 Ti6 O35 178.27(7) . . ?
O30 Ti6 O45 94.59(7) . 2_656 ?
O31 Ti6 O34 163.69(8) . . ?
O31 Ti6 O35 85.27(7) . . ?
O31 Ti6 O45 81.29(8) . 2_656 ?
O33 Ti6 O30 83.43(7) . . ?
O33 Ti6 O31 97.57(8) . . ?
O33 Ti6 O34 96.42(7) . . ?
O33 Ti6 O35 95.41(8) . . ?
O33 Ti6 O45 177.62(8) . 2_656 ?
O34 Ti6 O35 85.10(7) . . ?
O34 Ti6 O45 85.02(7) . 2_656 ?
O45 Ti6 O35 86.59(8) 2_656 . ?
O34 Ti7 Ti8 40.26(5) 2_656 2_656 ?
O34 Ti7 O44 90.58(7) 2_656 . ?
O34 Ti7 O46 87.31(7) 2_656 . ?
O34 Ti7 O51 169.56(7) 2_656 . ?
O42 Ti7 Ti8 40.44(5) . 2_656 ?
O42 Ti7 O34 80.17(7) . 2_656 ?
O42 Ti7 O44 164.70(7) . . ?
O42 Ti7 O46 86.86(7) . . ?
O42 Ti7 O51 94.10(7) . . ?
O43 Ti7 Ti8 106.13(5) . 2_656 ?
O43 Ti7 O34 98.92(7) . 2_656 ?
O43 Ti7 O42 97.96(7) . . ?
O43 Ti7 O44 95.48(7) . . ?
O43 Ti7 O46 172.67(7) . . ?
O43 Ti7 O51 90.47(7) . . ?
O44 Ti7 Ti8 127.92(6) . 2_656 ?
O44 Ti7 O46 80.51(7) . . ?
O44 Ti7 O51 93.06(7) . . ?
O46 Ti7 Ti8 81.13(5) . 2_656 ?
O51 Ti7 Ti8 132.41(5) . 2_656 ?
O51 Ti7 O46 83.65(7) . . ?
O34 Ti8 Ti7 40.26(5) . 2_656 ?
O34 Ti8 O37 90.52(7) . . ?
O34 Ti8 O39 164.09(7) . . ?
O34 Ti8 O42 79.69(7) . 2_656 ?
O34 Ti8 O47 85.93(7) . 2_656 ?
O37 Ti8 Ti7 127.48(5) . 2_656 ?
O37 Ti8 O47 79.84(7) . 2_656 ?
O39 Ti8 Ti7 127.73(5) . 2_656 ?
O39 Ti8 O37 95.41(7) . . ?
O39 Ti8 O47 80.63(7) . 2_656 ?
O42 Ti8 Ti7 39.95(5) 2_656 2_656 ?
O42 Ti8 O37 163.27(8) 2_656 . ?
O42 Ti8 O39 90.84(7) 2_656 . ?
O42 Ti8 O47 85.91(7) 2_656 2_656 ?
O43 Ti8 Ti7 108.60(5) . 2_656 ?
O43 Ti8 O34 101.30(7) . . ?
O43 Ti8 O37 95.71(8) . . ?
O43 Ti8 O39 92.80(7) . . ?
O43 Ti8 O42 99.48(7) . 2_656 ?
O43 Ti8 O47 171.61(7) . 2_656 ?
O47 Ti8 Ti7 79.66(5) 2_656 2_656 ?
C57 P1 Ag1 113.37(9) . . ?
C57 P1 C63 103.74(12) . . ?
C57 P1 C69 105.80(11) . . ?
C63 P1 Ag1 112.55(8) . . ?
C69 P1 Ag1 115.58(8) . . ?
C69 P1 C63 104.73(11) . . ?
C75 P2 Ag2 113.58(9) . . ?
C75 P2 C92 104.75(12) . . ?
C81 P2 Ag2 115.94(9) . . ?
C81 P2 C75 104.52(12) . . ?
C81 P2 C92 105.08(12) . . ?
C92 P2 Ag2 111.94(8) . . ?
O1 C1 C2 119.1(2) . . ?
O1 C1 O2 123.5(2) . . ?
O2 C1 C2 117.4(2) . . ?
C3 C2 C1 120.7(2) . . ?
C3 C2 C7 119.0(2) . . ?
C7 C2 C1 120.3(2) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(2) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.3(2) . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 119.9(2) . . ?
O3 C5 C4 115.1(2) . . ?
O3 C5 C6 125.0(2) . . ?
C5 C6 H6 120.4 . . ?
C7 C6 C5 119.2(2) . . ?
C7 C6 H6 120.4 . . ?
C2 C7 H7 119.4 . . ?
C6 C7 C2 121.1(2) . . ?
C6 C7 H7 119.4 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C8 H8A 109.5 . . ?
O3 C8 H8B 109.5 . . ?
O3 C8 H8C 109.5 . . ?
O4 C9 C10 117.5(2) . . ?
O5 C9 C10 117.9(2) . . ?
O5 C9 O4 124.6(2) . . ?
C11 C10 C9 120.6(2) . . ?
C11 C10 C15 118.7(2) . . ?
C15 C10 C9 120.6(2) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 C10 121.2(2) . . ?
C12 C11 H11 119.4 . . ?
C11 C12 H12 120.2 . . ?
C13 C12 C11 119.6(3) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 C14 119.8(2) . . ?
O6 C13 C12 122.4(3) . . ?
O6 C13 C14 117.9(3) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.3(3) . . ?
C15 C14 H14 119.9 . . ?
C10 C15 H15 119.7 . . ?
C14 C15 C10 120.5(3) . . ?
C14 C15 H15 119.7 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O6 C16 H16A 109.5 . . ?
O6 C16 H16B 109.5 . . ?
O6 C16 H16C 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
O6 C16A H16D 109.5 . . ?
O6 C16A H16E 109.5 . . ?
O6 C16A H16F 109.5 . . ?
O7 C17 C18 116.0(2) . . ?
O8 C17 C18 121.2(2) . . ?
O8 C17 O7 122.8(2) . . ?
C19 C18 C17 119.8(2) . . ?
C23 C18 C17 121.3(2) . . ?
C23 C18 C19 118.8(2) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.6(2) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.0(2) . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 119.8(2) . . ?
O9 C21 C20 115.5(2) . . ?
O9 C21 C22 124.7(2) . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.6(2) . . ?
C23 C22 H22 120.2 . . ?
C18 C23 C22 121.1(2) . . ?
C18 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O9 C24 H24A 109.5 . . ?
O9 C24 H24B 109.5 . . ?
O9 C24 H24C 109.5 . . ?
O22 C25 C26 114.3(2) . . ?
O23 C25 C26 121.4(2) . . ?
O23 C25 O22 124.3(2) . . ?
C27 C26 C25 120.2(3) . . ?
C31 C26 C25 120.8(2) . . ?
C31 C26 C27 119.0(3) . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.5(3) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 120.2 . . ?
C29 C28 C27 119.5(3) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 C30 120.3(3) . . ?
O24 C29 C28 124.7(3) . . ?
O24 C29 C30 115.0(3) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0(3) . . ?
C31 C30 H30 120.0 . . ?
C26 C31 H31 119.7 . . ?
C30 C31 C26 120.6(3) . . ?
C30 C31 H31 119.7 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O24 C32 H32A 109.5 . . ?
O24 C32 H32B 109.5 . . ?
O24 C32 H32C 109.5 . . ?
O12 C33 C34 116.9(2) . . ?
O15 C33 C34 120.4(2) . . ?
O15 C33 O12 122.7(2) . . ?
C35 C34 C33 121.4(2) . . ?
C39 C34 C33 120.0(2) . . ?
C39 C34 C35 118.6(2) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 C34 120.5(2) . . ?
C36 C35 H35 119.7 . . ?
C35 C36 H36 119.9 . . ?
C35 C36 C37 120.3(2) . . ?
C37 C36 H36 119.9 . . ?
C38 C37 C36 119.8(2) . . ?
O16 C37 C36 115.7(2) . . ?
O16 C37 C38 124.5(3) . . ?
C37 C38 H38 120.3 . . ?
C39 C38 C37 119.5(3) . . ?
C39 C38 H38 120.3 . . ?
C34 C39 H39 119.4 . . ?
C38 C39 C34 121.3(2) . . ?
C38 C39 H39 119.4 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O16 C40 H40A 109.5 . . ?
O16 C40 H40B 109.5 . . ?
O16 C40 H40C 109.5 . . ?
O13 C41 C42 116.8(2) . . ?
O17 C41 C42 119.0(2) . . ?
O17 C41 O13 124.2(2) . . ?
C43 C42 C41 120.3(2) . . ?
C47 C42 C41 120.9(2) . . ?
C47 C42 C43 118.8(2) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 C42 120.4(2) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 120.0 . . ?
C43 C44 C45 120.0(3) . . ?
C45 C44 H44 120.0 . . ?
C46 C45 C44 120.2(2) . . ?
O18 C45 C44 115.7(2) . . ?
O18 C45 C46 124.2(2) . . ?
C45 C46 H46 120.4 . . ?
C45 C46 C47 119.2(2) . . ?
C47 C46 H46 120.4 . . ?
C42 C47 C46 121.4(3) . . ?
C42 C47 H47 119.3 . . ?
C46 C47 H47 119.3 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O18 C48 H48A 109.5 . . ?
O18 C48 H48B 109.5 . . ?
O18 C48 H48C 109.5 . . ?
O19 C49 C50 114.4(2) . . ?
O20 C49 C50 121.1(2) . . ?
O20 C49 O19 124.4(2) . . ?
C51 C50 C49 120.2(2) . . ?
C51 C50 C55 119.0(2) . . ?
C55 C50 C49 120.8(2) . . ?
C50 C51 H51 119.3 . . ?
C50 C51 C52 121.4(2) . . ?
C52 C51 H51 119.3 . . ?
C51 C52 H52 120.3 . . ?
C53 C52 C51 119.4(3) . . ?
C53 C52 H52 120.3 . . ?
C52 C53 C54 119.8(2) . . ?
O21 C53 C52 124.6(3) . . ?
O21 C53 C54 115.6(2) . . ?
C53 C54 H54 119.8 . . ?
C55 C54 C53 120.5(3) . . ?
C55 C54 H54 119.8 . . ?
C50 C55 H55 120.0 . . ?
C54 C55 C50 120.0(3) . . ?
C54 C55 H55 120.0 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O21 C56 H56A 109.5 . . ?
O21 C56 H56B 109.5 . . ?
O21 C56 H56C 109.5 . . ?
C58 C57 P1 118.5(2) . . ?
C58 C57 C62 119.2(2) . . ?
C62 C57 P1 122.3(2) . . ?
C57 C58 H58 120.2 . . ?
C57 C58 C59 119.6(3) . . ?
C59 C58 H58 120.2 . . ?
C58 C59 H59 119.6 . . ?
C60 C59 C58 120.8(3) . . ?
C60 C59 H59 119.6 . . ?
C59 C60 H60 119.9 . . ?
C59 C60 C61 120.1(3) . . ?
C61 C60 H60 119.9 . . ?
C60 C61 H61 120.1 . . ?
C60 C61 C62 119.9(3) . . ?
C62 C61 H61 120.1 . . ?
C57 C62 H62 119.8 . . ?
C61 C62 C57 120.4(3) . . ?
C61 C62 H62 119.8 . . ?
C64 C63 P1 123.6(2) . . ?
C68 C63 P1 117.6(2) . . ?
C68 C63 C64 118.7(3) . . ?
C63 C64 H64 119.9 . . ?
C63 C64 C65 120.3(3) . . ?
C65 C64 H64 119.9 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 C64 120.0(3) . . ?
C66 C65 H65 120.0 . . ?
C65 C66 H66 120.0 . . ?
C67 C66 C65 120.0(3) . . ?
C67 C66 H66 120.0 . . ?
C66 C67 H67 119.9 . . ?
C66 C67 C68 120.2(3) . . ?
C68 C67 H67 119.9 . . ?
C63 C68 C67 120.9(3) . . ?
C63 C68 H68 119.6 . . ?
C67 C68 H68 119.6 . . ?
C70 C69 P1 122.53(19) . . ?
C74 C69 P1 117.88(19) . . ?
C74 C69 C70 119.6(2) . . ?
C69 C70 H70 120.1 . . ?
C71 C70 C69 119.8(3) . . ?
C71 C70 H70 120.1 . . ?
C70 C71 H71 119.7 . . ?
C72 C71 C70 120.5(3) . . ?
C72 C71 H71 119.7 . . ?
C71 C72 H72 119.9 . . ?
C71 C72 C73 120.2(3) . . ?
C73 C72 H72 119.9 . . ?
C72 C73 H73 120.0 . . ?
C72 C73 C74 119.9(3) . . ?
C74 C73 H73 120.0 . . ?
C69 C74 H74 120.0 . . ?
C73 C74 C69 120.1(2) . . ?
C73 C74 H74 120.0 . . ?
C76 C75 P2 122.8(2) . . ?
C80 C75 P2 118.0(2) . . ?
C80 C75 C76 119.1(3) . . ?
C75 C76 H76 119.9 . . ?
C77 C76 C75 120.2(3) . . ?
C77 C76 H76 119.9 . . ?
C76 C77 H77 120.0 . . ?
C78 C77 C76 120.1(3) . . ?
C78 C77 H77 120.0 . . ?
C77 C78 H78 119.9 . . ?
C79 C78 C77 120.2(3) . . ?
C79 C78 H78 119.9 . . ?
C78 C79 H79 120.0 . . ?
C78 C79 C80 120.1(3) . . ?
C80 C79 H79 120.0 . . ?
C75 C80 H80 119.9 . . ?
C79 C80 C75 120.3(3) . . ?
C79 C80 H80 119.9 . . ?
C82 C81 P2 117.9(2) . . ?
C86 C81 P2 123.1(2) . . ?
C86 C81 C82 119.0(3) . . ?
C81 C82 H82 119.8 . . ?
C83 C82 C81 120.4(3) . . ?
C83 C82 H82 119.8 . . ?
C82 C83 H83 120.0 . . ?
C84 C83 C82 120.1(3) . . ?
C84 C83 H83 120.0 . . ?
C83 C84 H84 119.9 . . ?
C83 C84 C85 120.2(3) . . ?
C85 C84 H84 119.9 . . ?
C84 C85 H85 120.1 . . ?
C84 C85 C86 119.8(3) . . ?
C86 C85 H85 120.1 . . ?
C81 C86 H86 119.8 . . ?
C85 C86 C81 120.5(3) . . ?
C85 C86 H86 119.8 . . ?
C88 C87 H87 119.7 . . ?
C88 C87 C92 120.6(3) . . ?
C92 C87 H87 119.7 . . ?
C87 C88 H88 119.9 . . ?
C89 C88 C87 120.1(3) . . ?
C89 C88 H88 119.9 . . ?
C88 C89 H89 120.0 . . ?
C90 C89 C88 120.0(3) . . ?
C90 C89 H89 120.0 . . ?
C89 C90 H90 120.0 . . ?
C89 C90 C91 120.1(3) . . ?
C91 C90 H90 120.0 . . ?
C90 C91 H91 119.7 . . ?
C92 C91 C90 120.7(3) . . ?
C92 C91 H91 119.7 . . ?
C87 C92 P2 118.9(2) . . ?
C91 C92 P2 122.3(2) . . ?
C91 C92 C87 118.5(2) . . ?
O27 C93 C94 120.0(2) . . ?
O27 C93 O28 124.3(3) . . ?
O28 C93 C94 115.8(2) . . ?
C95 C94 C93 122.1(3) . . ?
C99 C94 C93 119.0(3) . . ?
C99 C94 C95 118.8(3) . . ?
C94 C95 H95 119.7 . . ?
C96 C95 C94 120.5(3) . . ?
C96 C95 H95 119.7 . . ?
C95 C96 H96 120.0 . . ?
C95 C96 C97 120.0(3) . . ?
C97 C96 H96 120.0 . . ?
C98 C97 C96 120.4(3) . . ?
O29 C97 C96 114.4(3) . . ?
O29 C97 C98 125.2(3) . . ?
C97 C98 H98 120.4 . . ?
C97 C98 C99 119.2(3) . . ?
C99 C98 H98 120.4 . . ?
C94 C99 C98 121.0(3) . . ?
C94 C99 H99 119.5 . . ?
C98 C99 H99 119.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
O29 C100 H10A 109.5 . . ?
O29 C100 H10B 109.5 . . ?
O29 C100 H10C 109.5 . . ?
O46 C101 C102 118.2(2) . . ?
O46 C101 O47 124.1(2) . . ?
O47 C101 C102 117.7(2) . . ?
C103 C102 C101 120.6(2) . . ?
C103 C102 C107 119.1(3) . . ?
C107 C102 C101 120.2(3) . . ?
C102 C103 H103 119.4 . . ?
C102 C103 C104 121.3(3) . . ?
C104 C103 H103 119.4 . . ?
C103 C104 H104 120.6 . . ?
C105 C104 C103 118.9(3) . . ?
C105 C104 H104 120.6 . . ?
C106 C105 C104 120.4(3) . . ?
O48 C105 C104 124.2(3) . . ?
O48 C105 C106 115.4(3) . . ?
C105 C106 H106 119.9 . . ?
C107 C106 C105 120.2(3) . . ?
C107 C106 H106 119.9 . . ?
C102 C107 H107 119.9 . . ?
C106 C107 C102 120.2(3) . . ?
C106 C107 H107 119.9 . . ?
H10D C108 H10E 109.5 . . ?
H10D C108 H10F 109.5 . . ?
H10E C108 H10F 109.5 . . ?
O48 C108 H10D 109.5 . . ?
O48 C108 H10E 109.5 . . ?
O48 C108 H10F 109.5 . . ?
O31 C109 C110 115.3(2) . . ?
O32 C109 C110 121.1(2) . . ?
O32 C109 O31 123.6(2) . . ?
C111 C110 C109 120.6(2) . . ?
C115 C110 C109 120.7(2) . . ?
C115 C110 C111 118.6(3) . . ?
C110 C111 H111 119.5 . . ?
C110 C111 C112 121.1(3) . . ?
C112 C111 H111 119.5 . . ?
C111 C112 H112 120.3 . . ?
C113 C112 C111 119.3(3) . . ?
C113 C112 H112 120.3 . . ?
C112 C113 C114 120.0(3) . . ?
O36 C113 C112 124.5(3) . . ?
O36 C113 C114 115.4(3) . . ?
C113 C114 H114 119.9 . . ?
C115 C114 C113 120.2(3) . . ?
C115 C114 H114 119.9 . . ?
C110 C115 H115 119.6 . . ?
C114 C115 C110 120.7(3) . . ?
C114 C115 H115 119.6 . . ?
H11A C116 H11B 109.5 . . ?
H11A C116 H11C 109.5 . . ?
H11B C116 H11C 109.5 . . ?
O36 C116 H11A 109.5 . . ?
O36 C116 H11B 109.5 . . ?
O36 C116 H11C 109.5 . . ?
O35 C117 C118 119.2(2) . . ?
O35 C117 O37 122.4(2) . . ?
O37 C117 C118 118.3(2) . . ?
C119 C118 C117 120.9(2) . . ?
C119 C118 C123 118.5(3) . . ?
C123 C118 C117 120.6(3) . . ?
C118 C119 H119 119.2 . . ?
C118 C119 C120 121.5(3) . . ?
C120 C119 H119 119.2 . . ?
C119 C120 H120 120.3 . . ?
C121 C120 C119 119.5(3) . . ?
C121 C120 H120 120.3 . . ?
C120 C121 C122 119.8(3) . . ?
O38 C121 C120 124.8(3) . . ?
O38 C121 C122 115.4(3) . . ?
C121 C122 H122 119.9 . . ?
C123 C122 C121 120.2(3) . . ?
C123 C122 H122 119.9 . . ?
C118 C123 H123 119.7 . . ?
C122 C123 C118 120.5(3) . . ?
C122 C123 H123 119.7 . . ?
H12A C124 H12B 109.5 . . ?
H12A C124 H12C 109.5 . . ?
H12B C124 H12C 109.5 . . ?
O38 C124 H12A 109.5 . . ?
O38 C124 H12B 109.5 . . ?
O38 C124 H12C 109.5 . . ?
O39 C125 C126 117.1(2) . . ?
O40 C125 C126 119.6(2) . . ?
O40 C125 O39 123.3(2) . . ?
C127 C126 C125 119.7(2) . . ?
C127 C126 C131 119.7(2) . . ?
C131 C126 C125 120.6(2) . . ?
C126 C127 H127 119.7 . . ?
C126 C127 C128 120.6(2) . . ?
C128 C127 H127 119.7 . . ?
C127 C128 H128 120.4 . . ?
C129 C128 C127 119.2(2) . . ?
C129 C128 H128 120.4 . . ?
C128 C129 C130 120.5(2) . . ?
O41 C129 C128 124.4(2) . . ?
O41 C129 C130 115.1(2) . . ?
C129 C130 H130 119.9 . . ?
C131 C130 C129 120.1(2) . . ?
C131 C130 H130 119.9 . . ?
C126 C131 H131 120.1 . . ?
C130 C131 C126 119.9(2) . . ?
C130 C131 H131 120.1 . . ?
H13A C132 H13B 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
O41 C132 H13A 109.5 . . ?
O41 C132 H13B 109.5 . . ?
O41 C132 H13C 109.5 . . ?
O50 C133 C134 118.5(2) . . ?
O51 C133 C134 117.5(2) . . ?
O51 C133 O50 124.0(2) . . ?
C135 C134 C133 120.1(2) . . ?
C135 C134 C139 119.1(3) . . ?
C139 C134 C133 120.8(2) . . ?
C134 C135 H135 119.4 . . ?
C136 C135 C134 121.2(3) . . ?
C136 C135 H135 119.4 . . ?
C135 C136 H136 120.2 . . ?
C135 C136 C137 119.6(3) . . ?
C137 C136 H136 120.2 . . ?
C136 C137 C138 120.1(3) . . ?
O49 C137 C136 124.4(3) . . ?
O49 C137 C138 115.5(3) . . ?
C137 C138 H138 119.9 . . ?
C139 C138 C137 120.3(3) . . ?
C139 C138 H138 119.9 . . ?
C134 C139 H139 120.1 . . ?
C138 C139 C134 119.8(3) . . ?
C138 C139 H139 120.1 . . ?
H14A C140 H14B 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
O49 C140 H14A 109.5 . . ?
O49 C140 H14B 109.5 . . ?
O49 C140 H14C 109.5 . . ?
C142 C141 C146 120.0 . . ?
C142 C141 C148 116.9(3) . . ?
C146 C141 C148 123.1(4) . . ?
C141 C142 H142 120.0 . . ?
C143 C142 C141 120.0 . . ?
C143 C142 H142 120.0 . . ?
C142 C143 H143 120.0 . . ?
C142 C143 C144 120.0 . . ?
C144 C143 H143 120.0 . . ?
C143 C144 O52 127.5(5) . . ?
C145 C144 C143 120.0 . . ?
C145 C144 O52 112.3(5) . . ?
C144 C145 H145 120.0 . . ?
C146 C145 C144 120.0 . . ?
C146 C145 H145 120.0 . . ?
C141 C146 H146 120.0 . . ?
C145 C146 C141 120.0 . . ?
C145 C146 H146 120.0 . . ?
C14B C14A C14F 120.0 . . ?
C14B C14A C148 123.4(3) . . ?
C14F C14A C148 116.6(3) . . ?
C14A C14B H14D 120.0 . . ?
C14A C14B C14C 120.0 . . ?
C14C C14B H14D 120.0 . . ?
C14B C14C H14E 120.0 . . ?
C14B C14C C14D 120.0 . . ?
C14D C14C H14E 120.0 . . ?
C14E C14D C14C 120.0 . . ?
O52A C14D C14C 115.4(3) . . ?
O52A C14D C14E 124.6(3) . . ?
C14D C14E H14F 120.0 . . ?
C14F C14E C14D 120.0 . . ?
C14F C14E H14F 120.0 . . ?
C14A C14F H14G 120.0 . . ?
C14E C14F C14A 120.0 . . ?
C14E C14F H14G 120.0 . . ?
O44 C148 C141 109.4(3) . . ?
O44 C148 C14A 125.6(3) . . ?
O45 C148 C141 128.0(3) . . ?
O45 C148 C14A 111.9(3) . . ?
O45 C148 O44 122.5(2) . . ?
H14H C147 H14I 109.5 . . ?
H14H C147 H14J 109.5 . . ?
H14I C147 H14J 109.5 . . ?
O52 C147 H14H 109.5 . . ?
O52 C147 H14I 109.5 . . ?
O52 C147 H14J 109.5 . . ?
H14K C14G H14L 109.5 . . ?
H14K C14G H14M 109.5 . . ?
H14L C14G H14M 109.5 . . ?
O52A C14G H14K 109.5 . . ?
O52A C14G H14L 109.5 . . ?
O52A C14G H14M 109.5 . . ?
H14N C149 H14O 109.5 . . ?
H14N C149 H14P 109.5 . . ?
H14O C149 H14P 109.5 . . ?
C150 C149 H14N 109.5 . . ?
C150 C149 H14O 109.5 . . ?
C150 C149 H14P 109.5 . . ?
N1 C150 C149 177.9(6) . . ?
N2 C151 C152 176.3(8) . . ?
C151 C152 H15G 109.5 . . ?
C151 C152 H15H 109.5 . . ?
C151 C152 H15I 109.5 . . ?
H15G C152 H15H 109.5 . . ?
H15G C152 H15I 109.5 . . ?
H15H C152 H15I 109.5 . . ?
N3 C153 C154 152.3(16) . . ?
C153 C154 H15A 109.5 . . ?
C153 C154 H15B 109.5 . . ?
C153 C154 H15C 109.5 . . ?
H15A C154 H15B 109.5 . . ?
H15A C154 H15C 109.5 . . ?
H15B C154 H15C 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C15B C15A H15D 109.5 . . ?
C15B C15A H15E 109.5 . . ?
C15B C15A H15F 109.5 . . ?
N3 C15B C15A 150(2) . . ?
C1 O1 Ti3 129.21(15) . . ?
C1 O2 Ti1 132.19(15) . . ?
C5 O3 C8 118.2(2) . . ?
C9 O4 Ti2 126.57(15) . 2_767 ?
C9 O5 Ti1 126.93(15) . . ?
C13 O6 C16 124.4(3) . . ?
C13 O6 C16A 126.3(5) . . ?
C17 O7 Ti1 126.68(14) . . ?
C17 O8 Ti4 125.26(15) . 2_767 ?
C21 O9 C24 117.6(2) . . ?
Ti1 O10 Ti2 146.08(9) . . ?
Ti1 O11 Ti3 129.55(8) 2_767 2_767 ?
Ti2 O11 Ti1 99.92(7) . 2_767 ?
Ti2 O11 Ti3 130.50(8) . 2_767 ?
C33 O12 Ti2 133.18(15) . . ?
C41 O13 Ti2 131.34(15) . . ?
Ti1 O14 Ti4 130.18(8) 2_767 . ?
Ti2 O14 Ti1 99.11(7) . 2_767 ?
Ti2 O14 Ti4 130.67(8) . . ?
C33 O15 Ti3 128.84(15) . 2_767 ?
C37 O16 C40 117.8(2) . . ?
C41 O17 Ti4 131.45(15) . . ?
C45 O18 C48 117.9(2) . . ?
C49 O19 Ti4 145.31(17) . . ?
C49 O20 Ag1 123.85(17) . . ?
C53 O21 C56 117.1(2) . . ?
C25 O22 Ti3 143.29(17) . . ?
C25 O23 Ag1 126.72(18) . . ?
C29 O24 C32 118.3(3) . . ?
Ti3 O25 Ag1 120.12(7) . . ?
Ti4 O25 Ag1 122.23(8) . . ?
Ti4 O25 Ti3 95.89(7) . . ?
Ti3 O26 Ti4 97.89(8) . . ?
C93 O27 Ag2 128.53(18) . . ?
C93 O28 Ti5 133.38(17) . . ?
C97 O29 C100 117.4(3) . . ?
Ti5 O30 Ag2 122.08(8) . . ?
Ti5 O30 Ti6 95.73(7) . . ?
Ti6 O30 Ag2 119.31(8) . . ?
C109 O31 Ti6 135.94(18) . . ?
C109 O32 Ag2 124.21(17) . . ?
Ti6 O33 Ti5 97.52(8) . . ?
Ti7 O34 Ti6 130.74(8) 2_656 . ?
Ti7 O34 Ti8 99.48(7) 2_656 . ?
Ti8 O34 Ti6 129.73(9) . . ?
C117 O35 Ti6 129.01(17) . . ?
C113 O36 C116 118.4(3) . . ?
C117 O37 Ti8 125.35(16) . . ?
C121 O38 C124 116.8(3) . . ?
C125 O39 Ti8 129.83(16) . . ?
C125 O40 Ti5 127.43(16) . 2_656 ?
C129 O41 C132 117.9(2) . . ?
Ti7 O42 Ti5 131.13(9) . . ?
Ti7 O42 Ti8 99.61(7) . 2_656 ?
Ti8 O42 Ti5 129.25(8) 2_656 . ?
Ti8 O43 Ti7 145.27(10) . . ?
C148 O44 Ti7 126.18(16) . . ?
C148 O45 Ti6 130.17(17) . 2_656 ?
C101 O46 Ti7 127.07(17) . . ?
C101 O47 Ti8 127.95(16) . 2_656 ?
C105 O48 C108 118.1(3) . . ?
C137 O49 C140 116.4(2) . . ?
C133 O50 Ti5 124.69(17) . . ?
C133 O51 Ti7 132.36(16) . . ?
C147 O52 C144 114.2(8) . . ?
C14D O52A C14G 119.7(6) . . ?

# (APPEND TO CIF)
_vrf_PLAT260_1                   
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PROBLEM:   Large Average Ueq of Residue Including         
RESPONSE: This is because the guest CH3CN molecules were disorder.
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_olex2_submission_special_instructions 'No special instructions were received'
