# Supplementary Material (ESI) for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2010


data_global
_journal_name_full               CrystEngComm
_journal_coden_cambridge         1350
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_author_name                'Yao-Yu Wang'
_publ_contact_author_name        'Guo-Ping Yang'
_publ_contact_author_email       guopingyangsx@126.com

data_1
_database_code_depnum_ccdc_archive 'CCDC 789922'
#TrackingRef '- 1.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C45 H36 Ag3 N6 O6, 5(H2O)'
_chemical_formula_sum            'C45 H46 Ag3 N6 O11'
_chemical_formula_weight         1170.49

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   39.052(6)
_cell_length_b                   9.8693(13)
_cell_length_c                   26.197(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 120.120(5)
_cell_angle_gamma                90.00
_cell_volume                     8733(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3765
_cell_measurement_theta_min      2.412
_cell_measurement_theta_max      22.141

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.780
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4696
_exptl_absorpt_coefficient_mu    1.402
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7865
_exptl_absorpt_correction_T_max  0.8842
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX SMART II'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            21186
_diffrn_reflns_av_R_equivalents  0.0587
_diffrn_reflns_av_sigmaI/netI    0.0709
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.21
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7687
_reflns_number_gt                4410
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       APEX2
_computing_data_reduction        APEX2
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    APEX2
_computing_publication_material  APEX2

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1370P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7687
_refine_ls_number_parameters     587
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.1255
_refine_ls_R_factor_gt           0.0678
_refine_ls_wR_factor_ref         0.2236
_refine_ls_wR_factor_gt          0.1953
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.01078(2) 0.10004(7) 0.46135(3) 0.0593(3) Uani 1 1 d . . .
Ag2 Ag 0.14015(2) 0.98072(7) 0.78819(3) 0.0620(3) Uani 1 1 d . . .
Ag3 Ag -0.18230(3) -0.72375(9) 0.14040(4) 0.0976(4) Uani 1 1 d . . .
O1 O 0.2125(4) -0.1233(14) 0.7849(6) 0.155(5) Uani 1 1 d DU . .
O2 O 0.1905(4) 0.0680(15) 0.7283(6) 0.171(5) Uani 1 1 d DU . .
O3 O 0.0843(2) 0.0680(7) 0.4989(3) 0.0653(19) Uani 1 1 d . . .
O4 O 0.0657(2) -0.1446(9) 0.4815(4) 0.082(2) Uani 1 1 d . . .
N1 N 0.0264(2) 0.2930(7) 0.5109(3) 0.0418(17) Uani 1 1 d . . .
N2 N 0.1058(2) 0.8341(7) 0.7154(3) 0.0451(18) Uani 1 1 d . . .
N3 N 0.1732(2) 1.1431(7) 0.8516(3) 0.0451(18) Uani 1 1 d U . .
N4 N 0.2812(2) 1.6465(8) 1.0660(3) 0.053(2) Uani 1 1 d U . .
N5 N -0.0326(2) -0.0361(7) 0.3941(3) 0.0474(19) Uani 1 1 d . . .
N6 N -0.1522(2) -0.5544(8) 0.1989(4) 0.059(2) Uani 1 1 d . . .
O5 O 0.11747(19) 0.7733(7) 0.8724(3) 0.0641(19) Uani 1 1 d . . .
O6 O 0.0909(2) 0.9699(8) 0.8304(3) 0.071(2) Uani 1 1 d . . .
O7 O 0.0385(2) 0.8152(7) 0.3044(3) 0.072(2) Uani 1 1 d . . .
H7C H 0.0169 0.8152 0.2739 0.087 Uiso 1 1 d R . .
H7D H 0.0541 0.8789 0.3172 0.087 Uiso 1 1 d R . .
O8 O 0.0628(2) 0.6485(8) 0.4066(3) 0.085(2) Uani 1 1 d . . .
H8C H 0.0560 0.6963 0.3774 0.102 Uiso 1 1 d R . .
H8D H 0.0637 0.7090 0.4286 0.102 Uiso 1 1 d R . .
O9 O 0.1211(2) 0.4355(8) 0.4465(3) 0.082(2) Uani 1 1 d . . .
H9C H 0.1202 0.3737 0.4249 0.099 Uiso 1 1 d R . .
H9D H 0.1045 0.4961 0.4351 0.099 Uiso 1 1 d R . .
O10 O 0.1492(3) 0.7470(9) 0.0421(4) 0.113(3) Uani 1 1 d . . .
H10C H 0.1410 0.6936 0.0144 0.136 Uiso 1 1 d R . .
H10D H 0.1307 0.8007 0.0299 0.136 Uiso 1 1 d R . .
O11 O 0.1975(5) 0.7565(14) 0.1604(7) 0.298(14) Uani 1 1 d . . .
H11C H 0.1831 0.7526 0.1245 0.358 Uiso 1 1 d R . .
H11D H 0.1955 0.8122 0.1819 0.358 Uiso 1 1 d R . .
C1 C 0.2076(5) -0.0410(16) 0.7494(7) 0.117(5) Uani 1 1 d DU . .
C2 C 0.2318(3) -0.0841(14) 0.7166(5) 0.081(4) Uani 1 1 d D . .
H2A H 0.2412 -0.0033 0.7064 0.097 Uiso 1 1 calc R . .
H2B H 0.2546 -0.1379 0.7433 0.097 Uiso 1 1 calc R . .
C3 C 0.2057(3) -0.1656(12) 0.6608(4) 0.055(3) Uani 1 1 d . . .
C4 C 0.2063(3) -0.3086(12) 0.6605(5) 0.066(3) Uani 1 1 d . . .
H4 H 0.2227 -0.3558 0.6950 0.079 Uiso 1 1 calc R . .
C5 C 0.1820(3) -0.3791(10) 0.6082(5) 0.064(3) Uani 1 1 d . . .
H5 H 0.1824 -0.4734 0.6084 0.076 Uiso 1 1 calc R . .
C6 C 0.1578(3) -0.3117(10) 0.5570(4) 0.050(2) Uani 1 1 d . . .
H6 H 0.1421 -0.3602 0.5225 0.060 Uiso 1 1 calc R . .
C7 C 0.1565(2) -0.1707(9) 0.5561(4) 0.042(2) Uani 1 1 d . . .
C8 C 0.1807(3) -0.0982(10) 0.6084(4) 0.050(2) Uani 1 1 d . . .
H8 H 0.1800 -0.0040 0.6078 0.060 Uiso 1 1 calc R . .
C9 C 0.1305(2) -0.0959(9) 0.5008(4) 0.046(2) Uani 1 1 d . . .
H9A H 0.1258 -0.1524 0.4676 0.055 Uiso 1 1 calc R . .
H9B H 0.1444 -0.0154 0.4997 0.055 Uiso 1 1 calc R . .
C10 C 0.0907(3) -0.0535(9) 0.4933(4) 0.043(2) Uani 1 1 d . . .
C11 C 0.0902(3) 0.8610(10) 0.8530(4) 0.047(2) Uani 1 1 d . . .
C12 C 0.0537(3) 0.8245(9) 0.8565(4) 0.049(2) Uani 1 1 d . . .
H12A H 0.0611 0.7686 0.8910 0.059 Uiso 1 1 calc R . .
H12B H 0.0413 0.9062 0.8601 0.059 Uiso 1 1 calc R . .
C13 C 0.0249(2) 0.7487(9) 0.8017(4) 0.042(2) Uani 1 1 d . . .
C14 C 0.0000 0.8160(12) 0.7500 0.040(3) Uani 1 2 d S . .
H14 H 0.0000 0.9102 0.7500 0.048 Uiso 1 2 calc SR . .
C15 C 0.0245(3) 0.6074(9) 0.8016(4) 0.054(2) Uani 1 1 d . . .
H15 H 0.0407 0.5598 0.8362 0.065 Uiso 1 1 calc R . .
C16 C 0.0000 0.5386(13) 0.7500 0.064(4) Uani 1 2 d S . .
H16 H 0.0000 0.4444 0.7500 0.077 Uiso 1 2 calc SR . .
C17 C 0.0086(3) 0.3353(9) 0.5389(4) 0.044(2) Uani 1 1 d . . .
H17 H -0.0137 0.2879 0.5329 0.052 Uiso 1 1 calc R . .
C18 C 0.0202(3) 0.4436(8) 0.5764(4) 0.041(2) Uani 1 1 d . . .
H18 H 0.0060 0.4684 0.5947 0.049 Uiso 1 1 calc R . .
C19 C 0.0544(2) 0.5178(8) 0.5870(4) 0.040(2) Uani 1 1 d . . .
C20 C 0.0730(3) 0.4716(9) 0.5565(4) 0.047(2) Uani 1 1 d . . .
H20 H 0.0955 0.5158 0.5612 0.056 Uiso 1 1 calc R . .
C21 C 0.0583(3) 0.3616(9) 0.5196(4) 0.052(2) Uani 1 1 d . . .
H21 H 0.0712 0.3335 0.4997 0.062 Uiso 1 1 calc R . .
C22 C 0.0706(2) 0.6326(8) 0.6290(3) 0.0369(19) Uani 1 1 d . . .
C23 C 0.0565(3) 0.6668(11) 0.6663(4) 0.063(3) Uani 1 1 d . . .
H23 H 0.0343 0.6235 0.6629 0.076 Uiso 1 1 calc R . .
C24 C 0.0754(3) 0.7647(10) 0.7083(4) 0.057(3) Uani 1 1 d . . .
H24 H 0.0658 0.7829 0.7336 0.069 Uiso 1 1 calc R . .
C25 C 0.1175(3) 0.8105(11) 0.6767(5) 0.072(3) Uani 1 1 d . . .
H25 H 0.1378 0.8628 0.6784 0.086 Uiso 1 1 calc R . .
C26 C 0.1007(4) 0.7115(11) 0.6342(5) 0.078(4) Uani 1 1 d . . .
H26 H 0.1102 0.6982 0.6084 0.093 Uiso 1 1 calc R . .
C27 C 0.1615(3) 1.1949(12) 0.8867(5) 0.072(3) Uani 1 1 d . . .
H27 H 0.1387 1.1596 0.8844 0.086 Uiso 1 1 calc R . .
C28 C 0.1805(3) 1.2960(11) 0.9261(5) 0.065(3) Uani 1 1 d . . .
H28 H 0.1703 1.3277 0.9492 0.078 Uiso 1 1 calc R . .
C29 C 0.2147(2) 1.3522(8) 0.9324(3) 0.0364(19) Uani 1 1 d U . .
C30 C 0.2270(3) 1.2975(14) 0.8969(5) 0.088(4) Uani 1 1 d U . .
H30 H 0.2505 1.3276 0.8997 0.106 Uiso 1 1 calc R . .
C31 C 0.2052(3) 1.1975(13) 0.8566(5) 0.083(4) Uani 1 1 d U . .
H31 H 0.2139 1.1670 0.8315 0.100 Uiso 1 1 calc R . .
C32 C 0.2363(2) 1.4587(8) 0.9764(4) 0.039(2) Uani 1 1 d U . .
C33 C 0.2247(4) 1.5064(14) 1.0141(6) 0.105(6) Uani 1 1 d . . .
H33 H 0.2012 1.4755 1.0108 0.126 Uiso 1 1 calc R . .
C34 C 0.2471(4) 1.5989(16) 1.0566(6) 0.109(6) Uani 1 1 d . . .
H34 H 0.2375 1.6305 1.0805 0.131 Uiso 1 1 calc R . .
C35 C 0.2915(3) 1.6041(12) 1.0288(6) 0.081(4) Uani 1 1 d U . .
H35 H 0.3147 1.6383 1.0322 0.097 Uiso 1 1 calc R . .
C36 C 0.2708(3) 1.5144(12) 0.9856(6) 0.080(4) Uani 1 1 d U . .
H36 H 0.2805 1.4892 0.9610 0.096 Uiso 1 1 calc R . .
C37 C -0.0678(3) -0.0676(9) 0.3892(4) 0.048(2) Uani 1 1 d . . .
H37 H -0.0750 -0.0245 0.4139 0.057 Uiso 1 1 calc R . .
C38 C -0.0931(3) -0.1595(9) 0.3497(4) 0.047(2) Uani 1 1 d . . .
H38 H -0.1171 -0.1772 0.3476 0.056 Uiso 1 1 calc R . .
C39 C -0.0834(3) -0.2270(8) 0.3123(3) 0.041(2) Uani 1 1 d . . .
C40 C -0.0477(3) -0.1944(9) 0.3172(4) 0.056(3) Uani 1 1 d . . .
H40 H -0.0400 -0.2366 0.2928 0.068 Uiso 1 1 calc R . .
C41 C -0.0232(3) -0.0996(10) 0.3579(4) 0.054(2) Uani 1 1 d . . .
H41 H 0.0008 -0.0793 0.3601 0.065 Uiso 1 1 calc R . .
C42 C -0.1082(3) -0.3375(8) 0.2722(4) 0.047(2) Uani 1 1 d . . .
C43 C -0.1007(4) -0.3939(11) 0.2311(5) 0.075(3) Uani 1 1 d . . .
H43 H -0.0803 -0.3587 0.2264 0.090 Uiso 1 1 calc R . .
C44 C -0.1221(4) -0.5001(12) 0.1969(5) 0.081(4) Uani 1 1 d . . .
H44 H -0.1151 -0.5365 0.1706 0.097 Uiso 1 1 calc R . .
C45 C -0.1601(3) -0.5007(12) 0.2377(6) 0.087(4) Uani 1 1 d . . .
H45 H -0.1813 -0.5361 0.2402 0.104 Uiso 1 1 calc R . .
C46 C -0.1392(3) -0.3960(12) 0.2748(6) 0.082(4) Uani 1 1 d . . .
H46 H -0.1461 -0.3644 0.3019 0.099 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0749(6) 0.0437(4) 0.0494(4) -0.0164(3) 0.0237(4) -0.0204(4)
Ag2 0.0733(6) 0.0430(4) 0.0530(5) -0.0221(3) 0.0192(4) -0.0063(4)
Ag3 0.0910(7) 0.0507(5) 0.0853(7) -0.0331(5) -0.0047(5) -0.0128(5)
O1 0.155(6) 0.177(7) 0.144(6) -0.003(5) 0.082(5) -0.028(4)
O2 0.166(7) 0.181(7) 0.163(6) -0.035(5) 0.081(5) 0.013(5)
O3 0.082(5) 0.054(4) 0.075(5) 0.008(4) 0.050(4) 0.006(4)
O4 0.064(5) 0.088(6) 0.104(6) -0.029(5) 0.050(5) -0.014(4)
N1 0.045(4) 0.028(4) 0.046(4) -0.010(3) 0.018(4) -0.008(3)
N2 0.059(5) 0.035(4) 0.043(4) -0.014(3) 0.027(4) -0.005(3)
N3 0.051(5) 0.041(4) 0.045(4) 0.000(3) 0.026(4) -0.003(3)
N4 0.046(5) 0.045(4) 0.058(5) -0.008(4) 0.019(4) -0.012(4)
N5 0.054(5) 0.038(4) 0.043(4) -0.011(3) 0.019(4) -0.010(3)
N6 0.059(5) 0.043(4) 0.054(5) -0.019(4) 0.012(4) -0.006(4)
O5 0.046(4) 0.072(5) 0.075(5) -0.010(4) 0.031(4) 0.001(3)
O6 0.081(5) 0.059(5) 0.080(5) -0.007(4) 0.047(4) -0.016(4)
O7 0.080(5) 0.068(5) 0.065(4) -0.009(4) 0.033(4) -0.006(4)
O8 0.109(6) 0.058(5) 0.073(5) -0.010(4) 0.035(5) -0.002(4)
O9 0.086(6) 0.062(5) 0.090(6) -0.009(4) 0.038(5) 0.001(4)
O10 0.119(8) 0.076(6) 0.113(8) -0.009(5) 0.034(6) 0.014(5)
O11 0.29(2) 0.131(13) 0.197(15) 0.083(11) -0.081(14) 0.005(12)
C1 0.112(7) 0.104(6) 0.111(7) -0.008(5) 0.038(5) -0.011(5)
C2 0.051(7) 0.128(11) 0.056(6) -0.025(7) 0.022(5) 0.000(7)
C3 0.040(5) 0.089(8) 0.038(5) -0.001(5) 0.021(4) 0.009(5)
C4 0.066(7) 0.077(8) 0.059(6) 0.015(6) 0.034(6) 0.019(6)
C5 0.079(8) 0.049(6) 0.084(8) 0.010(6) 0.057(7) 0.008(5)
C6 0.046(5) 0.054(6) 0.055(6) -0.004(5) 0.029(5) 0.002(4)
C7 0.040(5) 0.047(5) 0.045(5) -0.012(4) 0.025(4) -0.002(4)
C8 0.047(5) 0.050(5) 0.055(6) -0.008(5) 0.027(5) 0.002(4)
C9 0.047(5) 0.051(5) 0.042(5) -0.004(4) 0.025(4) -0.008(4)
C10 0.050(6) 0.037(5) 0.043(5) -0.003(4) 0.024(4) 0.001(4)
C11 0.047(6) 0.049(6) 0.042(5) -0.020(4) 0.020(4) -0.009(4)
C12 0.056(6) 0.048(5) 0.042(5) 0.000(4) 0.024(4) 0.005(4)
C13 0.035(5) 0.047(5) 0.044(5) -0.003(4) 0.020(4) -0.001(4)
C14 0.041(7) 0.029(6) 0.053(7) 0.000 0.025(6) 0.000
C15 0.043(5) 0.040(5) 0.067(6) 0.009(5) 0.018(5) 0.002(4)
C16 0.065(10) 0.025(7) 0.102(12) 0.000 0.042(9) 0.000
C17 0.048(5) 0.038(5) 0.045(5) 0.003(4) 0.022(4) -0.005(4)
C18 0.050(5) 0.029(4) 0.047(5) -0.003(4) 0.026(4) -0.010(4)
C19 0.042(5) 0.036(5) 0.038(4) -0.002(4) 0.018(4) -0.009(4)
C20 0.043(5) 0.042(5) 0.054(5) -0.011(4) 0.023(4) -0.011(4)
C21 0.055(6) 0.043(5) 0.056(6) -0.017(4) 0.027(5) -0.006(4)
C22 0.046(5) 0.034(4) 0.035(4) -0.008(4) 0.023(4) -0.010(4)
C23 0.055(6) 0.066(7) 0.070(7) -0.020(6) 0.032(5) -0.023(5)
C24 0.065(7) 0.061(6) 0.058(6) -0.023(5) 0.039(5) -0.014(5)
C25 0.075(7) 0.066(7) 0.087(8) -0.034(6) 0.051(7) -0.033(6)
C26 0.095(9) 0.068(7) 0.103(9) -0.052(7) 0.075(8) -0.037(6)
C27 0.078(7) 0.089(8) 0.073(7) -0.044(6) 0.056(6) -0.044(6)
C28 0.068(7) 0.074(7) 0.074(7) -0.038(6) 0.052(6) -0.030(6)
C29 0.038(5) 0.037(4) 0.030(4) -0.002(3) 0.014(4) -0.005(4)
C30 0.067(7) 0.133(10) 0.088(8) -0.070(8) 0.056(6) -0.059(7)
C31 0.071(7) 0.122(10) 0.094(8) -0.076(7) 0.069(7) -0.052(7)
C32 0.043(5) 0.042(5) 0.039(4) -0.003(4) 0.024(4) -0.009(4)
C33 0.114(11) 0.127(11) 0.125(11) -0.089(10) 0.098(10) -0.093(9)
C34 0.135(12) 0.146(13) 0.086(9) -0.076(9) 0.085(9) -0.090(11)
C35 0.043(6) 0.088(8) 0.123(10) -0.063(8) 0.051(7) -0.030(5)
C36 0.062(7) 0.083(8) 0.118(10) -0.050(7) 0.062(7) -0.030(6)
C37 0.054(6) 0.046(5) 0.048(5) -0.005(4) 0.029(5) 0.004(4)
C38 0.039(5) 0.048(5) 0.045(5) -0.013(4) 0.015(4) -0.004(4)
C39 0.052(6) 0.033(4) 0.032(4) -0.002(4) 0.017(4) -0.005(4)
C40 0.074(7) 0.047(5) 0.055(6) -0.023(5) 0.038(5) -0.021(5)
C41 0.061(6) 0.055(6) 0.052(5) -0.019(5) 0.032(5) -0.021(5)
C42 0.049(5) 0.031(5) 0.048(5) -0.012(4) 0.014(4) -0.009(4)
C43 0.100(9) 0.061(7) 0.090(8) -0.042(6) 0.066(7) -0.040(6)
C44 0.113(10) 0.068(8) 0.084(8) -0.038(6) 0.065(8) -0.036(7)
C45 0.067(7) 0.074(8) 0.126(11) -0.058(8) 0.055(8) -0.036(6)
C46 0.074(8) 0.082(8) 0.101(9) -0.055(7) 0.051(7) -0.032(6)

_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 N5 2.188(7) . ?
Ag1 N1 2.212(6) . ?
Ag1 O3 2.547(7) . ?
Ag1 Ag1 3.2282(16) 5_556 ?
Ag2 N3 2.200(7) . ?
Ag2 N2 2.227(7) . ?
Ag2 Ag3 3.0903(13) 5_556 ?
Ag3 N4 2.163(7) 3_424 ?
Ag3 N6 2.172(7) . ?
Ag3 Ag2 3.0903(13) 5_556 ?
O1 C1 1.176(13) . ?
O2 C1 1.241(13) . ?
O3 C10 1.247(10) . ?
O4 C10 1.248(11) . ?
N1 C17 1.304(11) . ?
N1 C21 1.336(11) . ?
N2 C24 1.301(12) . ?
N2 C25 1.324(12) . ?
N3 C31 1.308(12) . ?
N3 C27 1.316(12) . ?
N4 C35 1.294(13) . ?
N4 C34 1.316(14) . ?
N4 Ag3 2.163(7) 3_576 ?
N5 C41 1.334(11) . ?
N5 C37 1.351(12) . ?
N6 C45 1.314(14) . ?
N6 C44 1.316(14) . ?
O5 C11 1.265(11) . ?
O6 C11 1.236(11) . ?
O7 H7C 0.8201 . ?
O7 H7D 0.8201 . ?
O8 H8C 0.8199 . ?
O8 H8D 0.8200 . ?
O9 H9C 0.8200 . ?
O9 H9D 0.8200 . ?
O10 H10C 0.8199 . ?
O10 H10D 0.8200 . ?
O11 H11C 0.8200 . ?
O11 H11D 0.8202 . ?
C1 C2 1.619(15) . ?
C2 C3 1.525(14) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C8 1.392(13) . ?
C3 C4 1.411(15) . ?
C4 C5 1.399(15) . ?
C4 H4 0.9300 . ?
C5 C6 1.366(13) . ?
C5 H5 0.9300 . ?
C6 C7 1.392(12) . ?
C6 H6 0.9300 . ?
C7 C8 1.408(12) . ?
C7 C9 1.481(12) . ?
C8 H8 0.9300 . ?
C9 C10 1.524(13) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C11 C12 1.516(13) . ?
C12 C13 1.505(12) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.378(10) . ?
C13 C15 1.394(12) . ?
C14 C13 1.378(10) 2_556 ?
C14 H14 0.9300 . ?
C15 C16 1.381(11) . ?
C15 H15 0.9300 . ?
C16 C15 1.381(11) 2_556 ?
C16 H16 0.9300 . ?
C17 C18 1.366(12) . ?
C17 H17 0.9300 . ?
C18 C19 1.421(11) . ?
C18 H18 0.9300 . ?
C19 C20 1.401(13) . ?
C19 C22 1.482(11) . ?
C20 C21 1.374(12) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C26 1.358(13) . ?
C22 C23 1.381(13) . ?
C23 C24 1.369(13) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.376(13) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.357(13) . ?
C27 H27 0.9300 . ?
C28 C29 1.378(12) . ?
C28 H28 0.9300 . ?
C29 C30 1.356(13) . ?
C29 C32 1.473(11) . ?
C30 C31 1.382(14) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C33 1.359(14) . ?
C32 C36 1.359(13) . ?
C33 C34 1.364(15) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C36 1.342(14) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C38 1.357(12) . ?
C37 H37 0.9300 . ?
C38 C39 1.383(12) . ?
C38 H38 0.9300 . ?
C39 C40 1.372(13) . ?
C39 C42 1.488(11) . ?
C40 C41 1.380(12) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C42 C43 1.371(14) . ?
C42 C46 1.373(14) . ?
C43 C44 1.360(14) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C45 C46 1.372(14) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?

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
N5 Ag1 N1 151.1(3) . . ?
N5 Ag1 O3 120.2(3) . . ?
N1 Ag1 O3 87.5(2) . . ?
N5 Ag1 Ag1 77.8(2) . 5_556 ?
N1 Ag1 Ag1 103.87(19) . 5_556 ?
O3 Ag1 Ag1 106.29(15) . 5_556 ?
N3 Ag2 N2 173.0(3) . . ?
N3 Ag2 Ag3 102.03(19) . 5_556 ?
N2 Ag2 Ag3 83.90(19) . 5_556 ?
N4 Ag3 N6 165.9(3) 3_424 . ?
N4 Ag3 Ag2 88.2(2) 3_424 5_556 ?
N6 Ag3 Ag2 105.6(2) . 5_556 ?
C10 O3 Ag1 109.1(6) . . ?
C17 N1 C21 117.2(7) . . ?
C17 N1 Ag1 122.6(6) . . ?
C21 N1 Ag1 119.6(6) . . ?
C24 N2 C25 115.9(8) . . ?
C24 N2 Ag2 125.4(6) . . ?
C25 N2 Ag2 118.6(6) . . ?
C31 N3 C27 114.8(8) . . ?
C31 N3 Ag2 122.9(6) . . ?
C27 N3 Ag2 122.3(6) . . ?
C35 N4 C34 114.2(9) . . ?
C35 N4 Ag3 123.9(7) . 3_576 ?
C34 N4 Ag3 121.8(7) . 3_576 ?
C41 N5 C37 117.1(7) . . ?
C41 N5 Ag1 118.8(6) . . ?
C37 N5 Ag1 123.9(6) . . ?
C45 N6 C44 115.4(9) . . ?
C45 N6 Ag3 127.0(8) . . ?
C44 N6 Ag3 117.6(7) . . ?
H7C O7 H7D 126.0 . . ?
H8C O8 H8D 96.7 . . ?
H9C O9 H9D 122.5 . . ?
H10C O10 H10D 101.3 . . ?
H11C O11 H11D 124.9 . . ?
O1 C1 O2 142.0(17) . . ?
O1 C1 C2 109.4(14) . . ?
O2 C1 C2 108.6(14) . . ?
C3 C2 C1 111.2(9) . . ?
C3 C2 H2A 109.4 . . ?
C1 C2 H2A 109.4 . . ?
C3 C2 H2B 109.4 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C8 C3 C4 118.5(9) . . ?
C8 C3 C2 119.6(10) . . ?
C4 C3 C2 121.8(10) . . ?
C5 C4 C3 119.9(9) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C6 C5 C4 121.0(10) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C5 C6 C7 120.3(9) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C6 C7 C8 119.4(8) . . ?
C6 C7 C9 121.1(8) . . ?
C8 C7 C9 119.5(8) . . ?
C3 C8 C7 120.9(9) . . ?
C3 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C7 C9 C10 114.6(7) . . ?
C7 C9 H9A 108.6 . . ?
C10 C9 H9A 108.6 . . ?
C7 C9 H9B 108.6 . . ?
C10 C9 H9B 108.6 . . ?
H9A C9 H9B 107.6 . . ?
O4 C10 O3 122.9(9) . . ?
O4 C10 C9 117.1(8) . . ?
O3 C10 C9 120.0(8) . . ?
O6 C11 O5 124.6(9) . . ?
O6 C11 C12 119.1(9) . . ?
O5 C11 C12 116.3(9) . . ?
C13 C12 C11 109.6(7) . . ?
C13 C12 H12A 109.8 . . ?
C11 C12 H12A 109.8 . . ?
C13 C12 H12B 109.8 . . ?
C11 C12 H12B 109.8 . . ?
H12A C12 H12B 108.2 . . ?
C14 C13 C15 118.7(8) . . ?
C14 C13 C12 121.2(8) . . ?
C15 C13 C12 120.0(8) . . ?
C13 C14 C13 122.3(11) 2_556 . ?
C13 C14 H14 118.8 2_556 . ?
C13 C14 H14 118.8 . . ?
C16 C15 C13 119.6(9) . . ?
C16 C15 H15 120.2 . . ?
C13 C15 H15 120.2 . . ?
C15 C16 C15 121.1(12) . 2_556 ?
C15 C16 H16 119.5 . . ?
C15 C16 H16 119.5 2_556 . ?
N1 C17 C18 125.2(8) . . ?
N1 C17 H17 117.4 . . ?
C18 C17 H17 117.4 . . ?
C17 C18 C19 118.9(8) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 H18 120.5 . . ?
C20 C19 C18 115.2(7) . . ?
C20 C19 C22 121.4(7) . . ?
C18 C19 C22 123.3(8) . . ?
C21 C20 C19 120.4(8) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
N1 C21 C20 123.0(9) . . ?
N1 C21 H21 118.5 . . ?
C20 C21 H21 118.5 . . ?
C26 C22 C23 114.8(8) . . ?
C26 C22 C19 122.6(8) . . ?
C23 C22 C19 122.5(8) . . ?
C24 C23 C22 119.7(9) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
N2 C24 C23 125.0(9) . . ?
N2 C24 H24 117.5 . . ?
C23 C24 H24 117.5 . . ?
N2 C25 C26 122.5(10) . . ?
N2 C25 H25 118.8 . . ?
C26 C25 H25 118.8 . . ?
C22 C26 C25 121.8(10) . . ?
C22 C26 H26 119.1 . . ?
C25 C26 H26 119.1 . . ?
N3 C27 C28 124.7(9) . . ?
N3 C27 H27 117.7 . . ?
C28 C27 H27 117.7 . . ?
C27 C28 C29 120.9(9) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 H28 119.6 . . ?
C30 C29 C28 114.5(8) . . ?
C30 C29 C32 124.0(8) . . ?
C28 C29 C32 121.4(8) . . ?
C29 C30 C31 120.9(9) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
N3 C31 C30 124.2(9) . . ?
N3 C31 H31 117.9 . . ?
C30 C31 H31 117.9 . . ?
C33 C32 C36 113.1(9) . . ?
C33 C32 C29 123.1(8) . . ?
C36 C32 C29 123.7(8) . . ?
C32 C33 C34 121.1(10) . . ?
C32 C33 H33 119.5 . . ?
C34 C33 H33 119.5 . . ?
N4 C34 C33 124.4(11) . . ?
N4 C34 H34 117.8 . . ?
C33 C34 H34 117.8 . . ?
N4 C35 C36 124.5(10) . . ?
N4 C35 H35 117.7 . . ?
C36 C35 H35 117.7 . . ?
C35 C36 C32 122.7(10) . . ?
C35 C36 H36 118.7 . . ?
C32 C36 H36 118.7 . . ?
N5 C37 C38 122.8(9) . . ?
N5 C37 H37 118.6 . . ?
C38 C37 H37 118.6 . . ?
C37 C38 C39 120.6(9) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C40 C39 C38 116.5(8) . . ?
C40 C39 C42 120.6(8) . . ?
C38 C39 C42 122.7(8) . . ?
C39 C40 C41 120.7(9) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 H40 119.7 . . ?
N5 C41 C40 122.3(9) . . ?
N5 C41 H41 118.9 . . ?
C40 C41 H41 118.9 . . ?
C43 C42 C46 114.3(8) . . ?
C43 C42 C39 122.1(9) . . ?
C46 C42 C39 123.5(9) . . ?
C44 C43 C42 121.7(11) . . ?
C44 C43 H43 119.2 . . ?
C42 C43 H43 119.2 . . ?
N6 C44 C43 123.7(11) . . ?
N6 C44 H44 118.1 . . ?
C43 C44 H44 118.1 . . ?
N6 C45 C46 124.3(11) . . ?
N6 C45 H45 117.8 . . ?
C46 C45 H45 117.8 . . ?
C45 C46 C42 120.5(11) . . ?
C45 C46 H46 119.8 . . ?
C42 C46 H46 119.8 . . ?

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
N5 Ag1 O3 C10 -26.7(7) . . . . ?
N1 Ag1 O3 C10 162.1(6) . . . . ?
Ag1 Ag1 O3 C10 58.4(6) 5_556 . . . ?
N5 Ag1 N1 C17 54.3(9) . . . . ?
O3 Ag1 N1 C17 -141.7(7) . . . . ?
Ag1 Ag1 N1 C17 -35.5(7) 5_556 . . . ?
N5 Ag1 N1 C21 -134.7(7) . . . . ?
O3 Ag1 N1 C21 29.3(7) . . . . ?
Ag1 Ag1 N1 C21 135.4(6) 5_556 . . . ?
N3 Ag2 N2 C24 -130(2) . . . . ?
Ag3 Ag2 N2 C24 82.0(8) 5_556 . . . ?
N3 Ag2 N2 C25 52(3) . . . . ?
Ag3 Ag2 N2 C25 -95.7(8) 5_556 . . . ?
N2 Ag2 N3 C31 -59(3) . . . . ?
Ag3 Ag2 N3 C31 88.0(9) 5_556 . . . ?
N2 Ag2 N3 C27 119(2) . . . . ?
Ag3 Ag2 N3 C27 -93.5(8) 5_556 . . . ?
N1 Ag1 N5 C41 136.5(7) . . . . ?
O3 Ag1 N5 C41 -24.9(8) . . . . ?
Ag1 Ag1 N5 C41 -126.8(7) 5_556 . . . ?
N1 Ag1 N5 C37 -48.1(10) . . . . ?
O3 Ag1 N5 C37 150.5(6) . . . . ?
Ag1 Ag1 N5 C37 48.6(7) 5_556 . . . ?
N4 Ag3 N6 C45 104.1(17) 3_424 . . . ?
Ag2 Ag3 N6 C45 -87.1(10) 5_556 . . . ?
N4 Ag3 N6 C44 -77.6(17) 3_424 . . . ?
Ag2 Ag3 N6 C44 91.2(9) 5_556 . . . ?
O1 C1 C2 C3 92.6(16) . . . . ?
O2 C1 C2 C3 -87.7(16) . . . . ?
C1 C2 C3 C8 83.9(13) . . . . ?
C1 C2 C3 C4 -96.5(13) . . . . ?
C8 C3 C4 C5 0.0(15) . . . . ?
C2 C3 C4 C5 -179.7(9) . . . . ?
C3 C4 C5 C6 0.4(15) . . . . ?
C4 C5 C6 C7 -0.8(15) . . . . ?
C5 C6 C7 C8 0.7(13) . . . . ?
C5 C6 C7 C9 179.7(8) . . . . ?
C4 C3 C8 C7 -0.1(14) . . . . ?
C2 C3 C8 C7 179.6(8) . . . . ?
C6 C7 C8 C3 -0.3(13) . . . . ?
C9 C7 C8 C3 -179.3(8) . . . . ?
C6 C7 C9 C10 96.5(10) . . . . ?
C8 C7 C9 C10 -84.5(10) . . . . ?
Ag1 O3 C10 O4 -12.1(11) . . . . ?
Ag1 O3 C10 C9 167.9(6) . . . . ?
C7 C9 C10 O4 -72.7(11) . . . . ?
C7 C9 C10 O3 107.3(10) . . . . ?
O6 C11 C12 C13 89.8(10) . . . . ?
O5 C11 C12 C13 -87.9(9) . . . . ?
C11 C12 C13 C14 -81.1(9) . . . . ?
C11 C12 C13 C15 95.7(10) . . . . ?
C15 C13 C14 C13 -0.7(6) . . . 2_556 ?
C12 C13 C14 C13 176.1(9) . . . 2_556 ?
C14 C13 C15 C16 1.3(12) . . . . ?
C12 C13 C15 C16 -175.5(7) . . . . ?
C13 C15 C16 C15 -0.7(6) . . . 2_556 ?
C21 N1 C17 C18 -0.2(13) . . . . ?
Ag1 N1 C17 C18 171.0(7) . . . . ?
N1 C17 C18 C19 -0.5(13) . . . . ?
C17 C18 C19 C20 0.7(12) . . . . ?
C17 C18 C19 C22 -176.9(8) . . . . ?
C18 C19 C20 C21 -0.3(13) . . . . ?
C22 C19 C20 C21 177.4(8) . . . . ?
C17 N1 C21 C20 0.6(13) . . . . ?
Ag1 N1 C21 C20 -170.8(7) . . . . ?
C19 C20 C21 N1 -0.4(14) . . . . ?
C20 C19 C22 C26 9.5(14) . . . . ?
C18 C19 C22 C26 -173.0(10) . . . . ?
C20 C19 C22 C23 -169.8(9) . . . . ?
C18 C19 C22 C23 7.7(13) . . . . ?
C26 C22 C23 C24 -6.2(15) . . . . ?
C19 C22 C23 C24 173.2(9) . . . . ?
C25 N2 C24 C23 3.4(16) . . . . ?
Ag2 N2 C24 C23 -174.4(8) . . . . ?
C22 C23 C24 N2 2.3(17) . . . . ?
C24 N2 C25 C26 -4.9(17) . . . . ?
Ag2 N2 C25 C26 173.0(10) . . . . ?
C23 C22 C26 C25 4.8(17) . . . . ?
C19 C22 C26 C25 -174.6(10) . . . . ?
N2 C25 C26 C22 1(2) . . . . ?
C31 N3 C27 C28 -0.5(18) . . . . ?
Ag2 N3 C27 C28 -179.2(10) . . . . ?
N3 C27 C28 C29 -1(2) . . . . ?
C27 C28 C29 C30 -0.5(16) . . . . ?
C27 C28 C29 C32 -177.8(10) . . . . ?
C28 C29 C30 C31 2.6(18) . . . . ?
C32 C29 C30 C31 179.9(11) . . . . ?
C27 N3 C31 C30 2.8(19) . . . . ?
Ag2 N3 C31 C30 -178.5(11) . . . . ?
C29 C30 C31 N3 -4(2) . . . . ?
C30 C29 C32 C33 -175.8(13) . . . . ?
C28 C29 C32 C33 1.3(16) . . . . ?
C30 C29 C32 C36 0.7(16) . . . . ?
C28 C29 C32 C36 177.8(11) . . . . ?
C36 C32 C33 C34 -1(2) . . . . ?
C29 C32 C33 C34 175.8(13) . . . . ?
C35 N4 C34 C33 4(2) . . . . ?
Ag3 N4 C34 C33 -173.2(13) 3_576 . . . ?
C32 C33 C34 N4 -2(3) . . . . ?
C34 N4 C35 C36 -3.2(19) . . . . ?
Ag3 N4 C35 C36 173.9(10) 3_576 . . . ?
N4 C35 C36 C32 0(2) . . . . ?
C33 C32 C36 C35 1.8(19) . . . . ?
C29 C32 C36 C35 -175.0(11) . . . . ?
C41 N5 C37 C38 0.1(13) . . . . ?
Ag1 N5 C37 C38 -175.4(7) . . . . ?
N5 C37 C38 C39 0.6(14) . . . . ?
C37 C38 C39 C40 -0.9(13) . . . . ?
C37 C38 C39 C42 174.2(8) . . . . ?
C38 C39 C40 C41 0.5(14) . . . . ?
C42 C39 C40 C41 -174.7(9) . . . . ?
C37 N5 C41 C40 -0.5(14) . . . . ?
Ag1 N5 C41 C40 175.2(8) . . . . ?
C39 C40 C41 N5 0.2(16) . . . . ?
C40 C39 C42 C43 -12.1(14) . . . . ?
C38 C39 C42 C43 173.0(10) . . . . ?
C40 C39 C42 C46 164.7(10) . . . . ?
C38 C39 C42 C46 -10.2(14) . . . . ?
C46 C42 C43 C44 -0.9(18) . . . . ?
C39 C42 C43 C44 176.1(11) . . . . ?
C45 N6 C44 C43 -1.4(19) . . . . ?
Ag3 N6 C44 C43 -179.9(11) . . . . ?
C42 C43 C44 N6 2(2) . . . . ?
C44 N6 C45 C46 -0.4(19) . . . . ?
Ag3 N6 C45 C46 178.0(10) . . . . ?
N6 C45 C46 C42 2(2) . . . . ?
C43 C42 C46 C45 -0.8(18) . . . . ?
C39 C42 C46 C45 -177.8(11) . . . . ?

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
O7 H7C O7 0.82 2.11 2.925(15) 179.8 2
O7 H7D O6 0.82 1.98 2.785(11) 166.9 6_575
O8 H8C O7 0.82 2.05 2.868(10) 179.6 .
O8 H8D O4 0.82 1.98 2.795(11) 179.7 1_565
O9 H9C O5 0.82 1.97 2.786(11) 179.4 6_565
O9 H9D O8 0.82 2.06 2.883(11) 179.8 .
O10 H10C O9 0.82 2.00 2.821(12) 179.5 6_565
O10 H10D O3 0.82 2.03 2.855(11) 179.1 6_565
O11 H11C O10 0.82 1.88 2.703(18) 178.8 .
O11 H11D O2 0.82 1.78 2.60(3) 179.2 6_565

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.083
_refine_diff_density_min         -1.790
_refine_diff_density_rms         0.137