# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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. 
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data_DyL5
_database_code_depnum_ccdc_archive 'CCDC 1562263'
_audit_update_record             
;
2017-08-16 deposited with the CCDC.
2017-09-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H60 Dy N3 O18 P3'
_chemical_formula_weight         1114.31

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'
Dy Dy -0.1892 4.4098 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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

_cell_length_a                   16.4696(6)
_cell_length_b                   13.4724(3)
_cell_length_c                   22.5458(6)
_cell_angle_alpha                90
_cell_angle_beta                 104.209(2)
_cell_angle_gamma                90
_cell_volume                     4849.5(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    33222
_cell_measurement_theta_min      1.51
_cell_measurement_theta_max      26.35

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_F_000             2280
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.712
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in
F. R. Ahmed (Editor), "Crystallographic Computing",
Munksgaard, Copenhagen (1970), 255 - 270
;
_exptl_absorpt_correction_T_min  0.7870
_exptl_absorpt_correction_T_max  0.9155
_exptl_absorpt_special_details   ?
_diffrn_measurement_device       '2-circle diffractometer'
_diffrn_measurement_device_type  'STOE IPDS II'

_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_type            'STOE Imaging Plate'
_diffrn_detector_area_resol_mean 6.67

_diffrn_source                   'Genix Mo HF'
_diffrn_source_type              ?
_diffrn_radiation_probe          x-ray
_diffrn_source_target            ?
_diffrn_source_voltage           50
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_collimation    '1.2, 0.6 mm diameter, multiple pinhole'

_diffrn_ambient_temperature      100

_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_measurement_details      
; 156 frames, detector distance = 130 mm
;
_diffrn_reflns_number            24710
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.755
_diffrn_reflns_theta_max         25.741
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9125
_reflns_number_gt                7666
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0712P)²+25.9097P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9125
_refine_ls_number_parameters     577
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0588
_refine_ls_wR_factor_ref         0.1569
_refine_ls_wR_factor_gt          0.1503
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_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_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
Dy1 Dy 0.49180(2) 0.23347(2) 0.19980(2) 0.03991(12) Uani 1 1 d . . . . .
N111 N 0.6717(4) 0.2250(4) 0.2380(3) 0.0581(17) Uani 1 1 d . . . . .
N112 N 0.5050(4) 0.1853(4) 0.0780(3) 0.0452(13) Uani 1 1 d . . . . .
N113 N 0.3122(4) 0.2307(5) 0.1757(3) 0.0515(14) Uani 1 1 d . . . . .
O11 O 0.5296(3) 0.2804(3) 0.3012(2) 0.0498(12) Uani 1 1 d . . . . .
O12 O 0.6070(3) 0.3185(4) 0.4104(2) 0.0516(12) Uani 1 1 d . . . . .
O13 O 0.4833(3) 0.4170(4) 0.3651(2) 0.0549(12) Uani 1 1 d . . . . .
O14 O 0.9642(3) 1.0969(3) 0.68528(19) 0.0448(11) Uani 1 1 d . . . . .
O15 O 0.9153(3) 0.9191(3) 0.6657(2) 0.0480(11) Uani 1 1 d . . . . .
O16 O 1.0153(3) 0.9823(4) 0.6108(2) 0.0471(11) Uani 1 1 d . . . . .
O21 O 0.4569(3) 0.0781(3) 0.22750(19) 0.0426(10) Uani 1 1 d . . . . .
O22 O 0.4958(3) -0.1038(3) 0.2421(2) 0.0493(11) Uani 1 1 d . . . . .
O23 O 0.3673(3) -0.0576(3) 0.16280(18) 0.0414(10) Uani 1 1 d . . . . .
O111 O 0.6310(3) 0.2967(3) 0.2065(2) 0.0547(13) Uani 1 1 d . . . . .
O112 O 0.7447(4) 0.2305(5) 0.2613(4) 0.095(3) Uani 1 1 d . . . . .
O113 O 0.6278(3) 0.1512(3) 0.2453(2) 0.0520(12) Uani 1 1 d . . . . .
O114 O 0.5200(3) 0.1235(3) 0.1218(2) 0.0474(11) Uani 1 1 d . . . . .
O115 O 0.5053(4) 0.1606(4) 0.0261(2) 0.0599(13) Uani 1 1 d . . . . .
O116 O 0.4929(3) 0.2731(3) 0.0925(2) 0.0479(11) Uani 1 1 d . . . . .
O117 O 0.3512(3) 0.2185(3) 0.1345(2) 0.0451(10) Uani 1 1 d . . . . .
O118 O 0.2364(4) 0.2207(5) 0.1647(3) 0.0790(18) Uani 1 1 d . . . . .
O119 O 0.3591(4) 0.2527(4) 0.2288(2) 0.0602(14) Uani 1 1 d . . . . .
P11 P 0.55615(12) 0.35955(13) 0.34796(8) 0.0455(4) Uani 1 1 d . . . . .
P12 P 0.94284(12) 1.01674(12) 0.63891(8) 0.0419(4) Uani 1 1 d . . . . .
P21 P 0.42438(11) -0.02474(12) 0.22510(7) 0.0377(4) Uani 1 1 d . . . . .
C11 C 0.6496(5) 0.5394(5) 0.3626(3) 0.0484(16) Uani 1 1 d . . . . .
C12 C 0.7322(5) 0.5620(6) 0.3742(4) 0.070(2) Uani 1 1 d . . . . .
H12 H 0.7685 0.5203 0.3585 0.083 Uiso 1 1 calc R U . . .
C13 C 0.7647(5) 0.6442(6) 0.4084(4) 0.068(2) Uani 1 1 d . . . . .
H13 H 0.8234 0.6553 0.4171 0.082 Uiso 1 1 calc R U . . .
C14 C 0.7168(4) 0.7098(5) 0.4303(3) 0.0422(14) Uani 1 1 d . . . . .
C15 C 0.6328(6) 0.6848(7) 0.4208(5) 0.076(3) Uani 1 1 d . . . . .
H15 H 0.5970 0.7256 0.4376 0.091 Uiso 1 1 calc R U . . .
C16 C 0.6003(6) 0.6018(7) 0.3874(5) 0.079(3) Uani 1 1 d . . . . .
H16 H 0.5424 0.5874 0.3813 0.094 Uiso 1 1 calc R U . . .
C17 C 0.7518(4) 0.8006(5) 0.4647(3) 0.0392(13) Uani 1 1 d . . . . .
C18 C 0.8291(4) 0.8381(5) 0.4618(3) 0.0431(14) Uani 1 1 d . . . . .
H18 H 0.8585 0.8070 0.4356 0.052 Uiso 1 1 calc R U . . .
C19 C 0.8646(4) 0.9191(5) 0.4957(3) 0.0435(15) Uani 1 1 d . . . . .
H19 H 0.9181 0.9422 0.4929 0.052 Uiso 1 1 calc R U . . .
C110 C 0.8234(4) 0.9668(5) 0.5337(3) 0.0417(14) Uani 1 1 d . . . . .
C111 C 0.7441(4) 0.9345(5) 0.5341(3) 0.0485(16) Uani 1 1 d . . . . .
H111 H 0.7129 0.9692 0.5578 0.058 Uiso 1 1 calc R U . . .
C112 C 0.7090(4) 0.8518(5) 0.5004(3) 0.0481(16) Uani 1 1 d . . . . .
H112 H 0.6547 0.8304 0.5020 0.058 Uiso 1 1 calc R U . . .
C21 C 0.3998(4) -0.0303(5) 0.3416(3) 0.0453(15) Uani 1 1 d . . . . .
C22 C 0.4133(5) -0.1100(6) 0.3809(3) 0.0532(18) Uani 1 1 d . . . . .
H22 H 0.3961 -0.1743 0.3655 0.064 Uiso 1 1 calc R U . . .
C23 C 0.4515(5) -0.0984(6) 0.4422(3) 0.0538(18) Uani 1 1 d . . . . .
H23 H 0.4592 -0.1549 0.4682 0.065 Uiso 1 1 calc R U . . .
C24 C 0.4791(4) -0.0063(5) 0.4670(3) 0.0397(14) Uani 1 1 d . . . . .
C25 C 0.4654(4) 0.0737(5) 0.4265(3) 0.0454(15) Uani 1 1 d . . . . .
H25 H 0.4833 0.1380 0.4416 0.054 Uiso 1 1 calc R U . . .
C26 C 0.4269(4) 0.0625(5) 0.3655(3) 0.0464(15) Uani 1 1 d . . . . .
H26 H 0.4187 0.1188 0.3394 0.056 Uiso 1 1 calc R U . . .
C27 C 0.3572(5) -0.0427(6) 0.2745(3) 0.0497(17) Uani 1 1 d . . . . .
H27A H 0.3103 0.0052 0.2634 0.060 Uiso 1 1 calc R U . . .
H27B H 0.3331 -0.1103 0.2679 0.060 Uiso 1 1 calc R U . . .
C28 C 0.5858(5) -0.0772(7) 0.2646(4) 0.062(2) Uani 1 1 d . . . . .
H28 H 0.5897 -0.0072 0.2798 0.074 Uiso 1 1 calc R U . . .
C29 C 0.6216(6) -0.1420(9) 0.3154(4) 0.089(3) Uani 1 1 d . . . . .
H29A H 0.6811 -0.1262 0.3312 0.134 Uiso 1 1 calc R U . . .
H29B H 0.5922 -0.1326 0.3479 0.134 Uiso 1 1 calc R U . . .
H29C H 0.6158 -0.2112 0.3016 0.134 Uiso 1 1 calc R U . . .
C113 C 0.6136(5) 0.4537(5) 0.3204(3) 0.0494(16) Uani 1 1 d . . . . .
H11A H 0.6607 0.4211 0.3080 0.059 Uiso 1 1 calc R U . . .
H11B H 0.5765 0.4822 0.2830 0.059 Uiso 1 1 calc R U . . .
C114 C 0.6857(5) 0.2614(5) 0.4162(3) 0.0514(17) Uani 1 1 d . . . . .
H114 H 0.7083 0.2754 0.3797 0.062 Uiso 1 1 calc R U . . .
C115 C 0.7459(7) 0.3013(9) 0.4724(5) 0.104(4) Uani 1 1 d . . . . .
H11C H 0.7995 0.2663 0.4787 0.157 Uiso 1 1 calc R U . . .
H11D H 0.7548 0.3724 0.4671 0.157 Uiso 1 1 calc R U . . .
H11E H 0.7228 0.2914 0.5081 0.157 Uiso 1 1 calc R U . . .
C116 C 0.6685(6) 0.1531(6) 0.4184(4) 0.069(2) Uani 1 1 d . . . . .
H11F H 0.7206 0.1159 0.4222 0.104 Uiso 1 1 calc R U . . .
H11G H 0.6456 0.1389 0.4537 0.104 Uiso 1 1 calc R U . . .
H11H H 0.6279 0.1333 0.3808 0.104 Uiso 1 1 calc R U . . .
C117 C 0.4156(7) 0.3690(8) 0.3852(7) 0.103(4) Uani 1 1 d . . . . .
H117 H 0.4215 0.2953 0.3829 0.123 Uiso 1 1 calc R U . . .
C118 C 0.3358(7) 0.3996(14) 0.3463(7) 0.162(8) Uani 1 1 d . . . . .
H11I H 0.3321 0.3779 0.3042 0.243 Uiso 1 1 calc R U . . .
H11J H 0.2902 0.3694 0.3610 0.243 Uiso 1 1 calc R U . . .
H11K H 0.3311 0.4720 0.3473 0.243 Uiso 1 1 calc R U . . .
C119 C 0.4251(10) 0.397(2) 0.4451(6) 0.253(17) Uani 1 1 d . . . . .
H11L H 0.4798 0.3748 0.4695 0.380 Uiso 1 1 calc R U . . .
H11M H 0.4215 0.4695 0.4475 0.380 Uiso 1 1 calc R U . . .
H11N H 0.3806 0.3669 0.4611 0.380 Uiso 1 1 calc R U . . .
C120 C 0.8631(4) 1.0535(5) 0.5737(3) 0.0412(14) Uani 1 1 d . . . . .
H12A H 0.8189 1.0897 0.5876 0.049 Uiso 1 1 calc R U . . .
H12B H 0.8876 1.0998 0.5487 0.049 Uiso 1 1 calc R U . . .
C121 C 0.8689(9) 0.9119(7) 0.7125(5) 0.096(4) Uani 1 1 d . . . . .
H121 H 0.8531 0.9782 0.7261 0.115 Uiso 1 1 calc R U . . .
C122 C 0.7954(6) 0.8459(13) 0.6899(5) 0.121(5) Uani 1 1 d . . . . .
H12C H 0.7635 0.8405 0.7212 0.181 Uiso 1 1 calc R U . . .
H12D H 0.7594 0.8739 0.6524 0.181 Uiso 1 1 calc R U . . .
H12E H 0.8147 0.7799 0.6812 0.181 Uiso 1 1 calc R U . . .
C123 C 0.9286(10) 0.8530(13) 0.7646(6) 0.153(7) Uani 1 1 d . . . . .
H12F H 0.9021 0.8444 0.7987 0.230 Uiso 1 1 calc R U . . .
H12G H 0.9402 0.7878 0.7493 0.230 Uiso 1 1 calc R U . . .
H12H H 0.9812 0.8897 0.7787 0.230 Uiso 1 1 calc R U . . .
C124 C 1.0856(5) 0.9163(5) 0.6425(3) 0.0527(17) Uani 1 1 d . . . . .
H124 H 1.0711 0.8837 0.6784 0.063 Uiso 1 1 calc R U . . .
C125 C 1.0930(5) 0.8394(6) 0.5961(4) 0.062(2) Uani 1 1 d . . . . .
H12I H 1.0407 0.8015 0.5842 0.093 Uiso 1 1 calc R U . . .
H12J H 1.1038 0.8721 0.5599 0.093 Uiso 1 1 calc R U . . .
H12K H 1.1394 0.7944 0.6138 0.093 Uiso 1 1 calc R U . . .
C126 C 1.1614(5) 0.9778(6) 0.6635(3) 0.059(2) Uani 1 1 d . . . . .
H12L H 1.2082 0.9357 0.6845 0.089 Uiso 1 1 calc R U . . .
H12M H 1.1753 1.0099 0.6282 0.089 Uiso 1 1 calc R U . . .
H12N H 1.1511 1.0287 0.6918 0.089 Uiso 1 1 calc R U . . .
C210 C 0.6260(6) -0.0832(7) 0.2120(4) 0.071(2) Uani 1 1 d . . . . .
H21A H 0.5979 -0.0371 0.1798 0.106 Uiso 1 1 calc R U . . .
H21B H 0.6853 -0.0654 0.2259 0.106 Uiso 1 1 calc R U . . .
H21C H 0.6210 -0.1510 0.1958 0.106 Uiso 1 1 calc R U . . .
C211 C 0.4001(4) -0.0703(5) 0.1073(3) 0.0429(15) Uani 1 1 d . . . . .
H211 H 0.4588 -0.0447 0.1155 0.051 Uiso 1 1 calc R U . . .
C212 C 0.3441(5) -0.0099(6) 0.0571(3) 0.0564(19) Uani 1 1 d . . . . .
H21D H 0.3635 -0.0162 0.0195 0.085 Uiso 1 1 calc R U . . .
H21E H 0.2865 -0.0344 0.0498 0.085 Uiso 1 1 calc R U . . .
H21F H 0.3461 0.0599 0.0695 0.085 Uiso 1 1 calc R U . . .
C213 C 0.3990(5) -0.1786(5) 0.0936(3) 0.0528(17) Uani 1 1 d . . . . .
H21G H 0.4202 -0.1897 0.0572 0.079 Uiso 1 1 calc R U . . .
H21H H 0.4345 -0.2139 0.1285 0.079 Uiso 1 1 calc R U . . .
H21I H 0.3415 -0.2036 0.0861 0.079 Uiso 1 1 calc R 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
Dy1 O21 2.298(4) . ?
Dy1 O11 2.306(4) . ?
Dy1 O14 2.338(4) 4_575 ?
Dy1 O111 2.415(5) . ?
Dy1 O117 2.428(4) . ?
Dy1 O114 2.429(5) . ?
Dy1 O119 2.444(6) . ?
Dy1 O116 2.481(5) . ?
Dy1 O113 2.484(5) . ?
Dy1 N113 2.874(6) . ?
Dy1 N111 2.877(6) . ?
Dy1 N112 2.881(6) . ?
N111 O112 1.191(8) . ?
N111 O113 1.263(8) . ?
N111 O111 1.286(8) . ?
N112 O115 1.219(7) . ?
N112 O116 1.256(7) . ?
N112 O114 1.269(7) . ?
N113 O118 1.218(8) . ?
N113 O117 1.264(7) . ?
N113 O119 1.291(8) . ?
O11 P11 1.488(5) . ?
O12 C114 1.486(9) . ?
O12 P11 1.553(5) . ?
O13 C117 1.454(11) . ?
O13 P11 1.554(5) . ?
O14 P12 1.484(4) . ?
O14 Dy1 2.338(4) 4_676 ?
O15 C121 1.450(10) . ?
O15 P12 1.560(5) . ?
O16 C124 1.495(8) . ?
O16 P12 1.553(5) . ?
O21 P21 1.481(4) . ?
O22 C28 1.489(9) . ?
O22 P21 1.563(5) . ?
O23 C211 1.489(7) . ?
O23 P21 1.550(4) . ?
P11 C113 1.783(7) . ?
P12 C120 1.785(6) . ?
P21 C27 1.769(7) . ?
C11 C12 1.356(11) . ?
C11 C16 1.378(11) . ?
C11 C113 1.520(9) . ?
C12 C13 1.381(11) . ?
C12 H12 0.9500 . ?
C13 C14 1.355(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(11) . ?
C14 C17 1.487(9) . ?
C15 C16 1.380(11) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C112 1.379(9) . ?
C17 C18 1.386(10) . ?
C18 C19 1.378(9) . ?
C18 H18 0.9500 . ?
C19 C110 1.376(9) . ?
C19 H19 0.9500 . ?
C110 C111 1.378(10) . ?
C110 C120 1.522(8) . ?
C111 C112 1.392(9) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C21 C22 1.375(10) . ?
C21 C26 1.392(9) . ?
C21 C27 1.512(8) . ?
C22 C23 1.381(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.391(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.395(9) . ?
C24 C24 1.486(12) 3_656 ?
C25 C26 1.375(9) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.447(12) . ?
C28 C210 1.494(12) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C113 H11A 0.9900 . ?
C113 H11B 0.9900 . ?
C114 C116 1.490(11) . ?
C114 C115 1.505(11) . ?
C114 H114 1.0000 . ?
C115 H11C 0.9800 . ?
C115 H11D 0.9800 . ?
C115 H11E 0.9800 . ?
C116 H11F 0.9800 . ?
C116 H11G 0.9800 . ?
C116 H11H 0.9800 . ?
C117 C119 1.374(19) . ?
C117 C118 1.451(18) . ?
C117 H117 1.0000 . ?
C118 H11I 0.9800 . ?
C118 H11J 0.9800 . ?
C118 H11K 0.9800 . ?
C119 H11L 0.9800 . ?
C119 H11M 0.9800 . ?
C119 H11N 0.9800 . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C121 C122 1.488(17) . ?
C121 C123 1.552(18) . ?
C121 H121 1.0000 . ?
C122 H12C 0.9800 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C124 C126 1.477(11) . ?
C124 C125 1.499(11) . ?
C124 H124 1.0000 . ?
C125 H12I 0.9800 . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C126 H12L 0.9800 . ?
C126 H12M 0.9800 . ?
C126 H12N 0.9800 . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 C213 1.491(9) . ?
C211 C212 1.509(9) . ?
C211 H211 1.0000 . ?
C212 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C213 H21G 0.9800 . ?
C213 H21H 0.9800 . ?
C213 H21I 0.9800 . ?

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
O21 Dy1 O11 90.27(15) . . ?
O21 Dy1 O14 151.15(17) . 4_575 ?
O11 Dy1 O14 82.35(15) . 4_575 ?
O21 Dy1 O111 126.96(16) . . ?
O11 Dy1 O111 79.63(19) . . ?
O14 Dy1 O111 79.21(17) 4_575 . ?
O21 Dy1 O117 79.87(16) . . ?
O11 Dy1 O117 127.53(17) . . ?
O14 Dy1 O117 82.69(16) 4_575 . ?
O111 Dy1 O117 144.74(16) . . ?
O21 Dy1 O114 75.30(15) . . ?
O11 Dy1 O114 146.28(17) . . ?
O14 Dy1 O114 124.05(15) 4_575 . ?
O111 Dy1 O114 85.04(17) . . ?
O117 Dy1 O114 80.43(16) . . ?
O21 Dy1 O119 73.96(17) . . ?
O11 Dy1 O119 75.34(18) . . ?
O14 Dy1 O119 77.19(17) 4_575 . ?
O111 Dy1 O119 147.47(17) . . ?
O117 Dy1 O119 52.33(16) . . ?
O114 Dy1 O119 126.92(16) . . ?
O21 Dy1 O116 121.55(15) . . ?
O11 Dy1 O116 147.45(16) . . ?
O14 Dy1 O116 72.58(15) 4_575 . ?
O111 Dy1 O116 75.62(17) . . ?
O117 Dy1 O116 70.17(16) . . ?
O114 Dy1 O116 51.50(15) . . ?
O119 Dy1 O116 117.33(17) . . ?
O21 Dy1 O113 75.04(16) . . ?
O11 Dy1 O113 73.50(18) . . ?
O14 Dy1 O113 128.20(16) 4_575 . ?
O111 Dy1 O113 52.08(16) . . ?
O117 Dy1 O113 147.41(15) . . ?
O114 Dy1 O113 73.37(16) . . ?
O119 Dy1 O113 135.37(17) . . ?
O116 Dy1 O113 106.09(17) . . ?
O21 Dy1 N113 74.02(17) . . ?
O11 Dy1 N113 101.88(18) . . ?
O14 Dy1 N113 80.26(17) 4_575 . ?
O111 Dy1 N113 159.01(16) . . ?
O117 Dy1 N113 25.86(16) . . ?
O114 Dy1 N113 103.06(17) . . ?
O119 Dy1 N113 26.54(17) . . ?
O116 Dy1 N113 94.12(17) . . ?
O113 Dy1 N113 148.69(16) . . ?
O21 Dy1 N111 100.98(17) . . ?
O11 Dy1 N111 72.9(2) . . ?
O14 Dy1 N111 103.36(17) 4_575 . ?
O111 Dy1 N111 26.30(16) . . ?
O117 Dy1 N111 159.52(19) . . ?
O114 Dy1 N111 80.03(18) . . ?
O119 Dy1 N111 147.85(19) . . ?
O116 Dy1 N111 92.70(19) . . ?
O113 Dy1 N111 25.94(16) . . ?
N113 Dy1 N111 172.99(18) . . ?
O21 Dy1 N112 97.84(15) . . ?
O11 Dy1 N112 160.34(18) . . ?
O14 Dy1 N112 98.28(16) 4_575 . ?
O111 Dy1 N112 81.20(17) . . ?
O117 Dy1 N112 71.77(16) . . ?
O114 Dy1 N112 25.91(15) . . ?
O119 Dy1 N112 124.09(17) . . ?
O116 Dy1 N112 25.73(15) . . ?
O113 Dy1 N112 91.27(17) . . ?
N113 Dy1 N112 97.57(17) . . ?
N111 Dy1 N112 87.91(19) . . ?
O112 N111 O113 122.7(6) . . ?
O112 N111 O111 122.0(6) . . ?
O113 N111 O111 115.2(6) . . ?
O112 N111 Dy1 169.7(7) . . ?
O113 N111 Dy1 59.4(3) . . ?
O111 N111 Dy1 56.3(3) . . ?
O115 N112 O116 123.1(6) . . ?
O115 N112 O114 121.5(6) . . ?
O116 N112 O114 115.3(5) . . ?
O115 N112 Dy1 175.2(5) . . ?
O116 N112 Dy1 59.1(3) . . ?
O114 N112 Dy1 56.7(3) . . ?
O118 N113 O117 121.2(6) . . ?
O118 N113 O119 124.3(7) . . ?
O117 N113 O119 114.5(6) . . ?
O118 N113 Dy1 174.4(6) . . ?
O117 N113 Dy1 56.9(3) . . ?
O119 N113 Dy1 57.8(4) . . ?
P11 O11 Dy1 149.3(3) . . ?
C114 O12 P11 121.9(5) . . ?
C117 O13 P11 123.6(6) . . ?
P12 O14 Dy1 144.5(3) . 4_676 ?
C121 O15 P12 126.4(5) . . ?
C124 O16 P12 124.4(4) . . ?
P21 O21 Dy1 162.6(3) . . ?
C28 O22 P21 123.1(5) . . ?
C211 O23 P21 122.0(4) . . ?
N111 O111 Dy1 97.4(4) . . ?
N111 O113 Dy1 94.7(4) . . ?
N112 O114 Dy1 97.3(4) . . ?
N112 O116 Dy1 95.2(4) . . ?
N113 O117 Dy1 97.2(4) . . ?
N113 O119 Dy1 95.6(4) . . ?
O11 P11 O12 112.7(3) . . ?
O11 P11 O13 115.0(3) . . ?
O12 P11 O13 103.2(3) . . ?
O11 P11 C113 110.7(3) . . ?
O12 P11 C113 110.8(3) . . ?
O13 P11 C113 103.9(3) . . ?
O14 P12 O16 115.6(3) . . ?
O14 P12 O15 112.5(3) . . ?
O16 P12 O15 103.4(3) . . ?
O14 P12 C120 112.2(3) . . ?
O16 P12 C120 103.3(3) . . ?
O15 P12 C120 109.1(3) . . ?
O21 P21 O23 115.7(3) . . ?
O21 P21 O22 112.7(3) . . ?
O23 P21 O22 106.2(3) . . ?
O21 P21 C27 112.4(3) . . ?
O23 P21 C27 101.4(3) . . ?
O22 P21 C27 107.5(3) . . ?
C12 C11 C16 116.6(7) . . ?
C12 C11 C113 120.6(7) . . ?
C16 C11 C113 122.6(7) . . ?
C11 C12 C13 121.4(8) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 H12 119.3 . . ?
C14 C13 C12 123.0(8) . . ?
C14 C13 H13 118.5 . . ?
C12 C13 H13 118.5 . . ?
C13 C14 C15 115.7(7) . . ?
C13 C14 C17 122.6(7) . . ?
C15 C14 C17 121.6(6) . . ?
C16 C15 C14 121.3(8) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C11 C16 C15 121.8(8) . . ?
C11 C16 H16 119.1 . . ?
C15 C16 H16 119.1 . . ?
C112 C17 C18 116.8(6) . . ?
C112 C17 C14 121.9(6) . . ?
C18 C17 C14 121.3(6) . . ?
C19 C18 C17 122.2(6) . . ?
C19 C18 H18 118.9 . . ?
C17 C18 H18 118.9 . . ?
C110 C19 C18 120.5(6) . . ?
C110 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C110 C111 118.1(6) . . ?
C19 C110 C120 121.3(6) . . ?
C111 C110 C120 120.6(6) . . ?
C110 C111 C112 121.0(6) . . ?
C110 C111 H111 119.5 . . ?
C112 C111 H111 119.5 . . ?
C17 C112 C111 121.1(7) . . ?
C17 C112 H112 119.4 . . ?
C111 C112 H112 119.4 . . ?
C22 C21 C26 117.8(6) . . ?
C22 C21 C27 121.4(6) . . ?
C26 C21 C27 120.8(6) . . ?
C21 C22 C23 121.3(7) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C24 121.9(7) . . ?
C22 C23 H23 119.1 . . ?
C24 C23 H23 119.1 . . ?
C23 C24 C25 116.2(6) . . ?
C23 C24 C24 122.0(8) . 3_656 ?
C25 C24 C24 121.8(7) . 3_656 ?
C26 C25 C24 122.1(6) . . ?
C26 C25 H25 119.0 . . ?
C24 C25 H25 119.0 . . ?
C25 C26 C21 120.8(7) . . ?
C25 C26 H26 119.6 . . ?
C21 C26 H26 119.6 . . ?
C21 C27 P21 114.0(5) . . ?
C21 C27 H27A 108.7 . . ?
P21 C27 H27A 108.7 . . ?
C21 C27 H27B 108.8 . . ?
P21 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
C29 C28 O22 107.6(7) . . ?
C29 C28 C210 115.0(8) . . ?
O22 C28 C210 108.4(6) . . ?
C29 C28 H28 108.6 . . ?
O22 C28 H28 108.6 . . ?
C210 C28 H28 108.6 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C11 C113 P11 118.8(5) . . ?
C11 C113 H11A 107.6 . . ?
P11 C113 H11A 107.6 . . ?
C11 C113 H11B 107.6 . . ?
P11 C113 H11B 107.6 . . ?
H11A C113 H11B 107.1 . . ?
O12 C114 C116 109.9(6) . . ?
O12 C114 C115 105.6(7) . . ?
C116 C114 C115 114.4(8) . . ?
O12 C114 H114 108.9 . . ?
C116 C114 H114 108.9 . . ?
C115 C114 H114 108.9 . . ?
C114 C115 H11C 109.5 . . ?
C114 C115 H11D 109.5 . . ?
H11C C115 H11D 109.5 . . ?
C114 C115 H11E 109.5 . . ?
H11C C115 H11E 109.5 . . ?
H11D C115 H11E 109.5 . . ?
C114 C116 H11F 109.5 . . ?
C114 C116 H11G 109.5 . . ?
H11F C116 H11G 109.5 . . ?
C114 C116 H11H 109.5 . . ?
H11F C116 H11H 109.5 . . ?
H11G C116 H11H 109.5 . . ?
C119 C117 C118 112.6(13) . . ?
C119 C117 O13 105.9(13) . . ?
C118 C117 O13 109.6(10) . . ?
C119 C117 H117 109.6 . . ?
C118 C117 H117 109.6 . . ?
O13 C117 H117 109.6 . . ?
C117 C118 H11I 109.5 . . ?
C117 C118 H11J 109.5 . . ?
H11I C118 H11J 109.5 . . ?
C117 C118 H11K 109.5 . . ?
H11I C118 H11K 109.5 . . ?
H11J C118 H11K 109.5 . . ?
C117 C119 H11L 109.5 . . ?
C117 C119 H11M 109.5 . . ?
H11L C119 H11M 109.5 . . ?
C117 C119 H11N 109.5 . . ?
H11L C119 H11N 109.5 . . ?
H11M C119 H11N 109.5 . . ?
C110 C120 P12 113.4(4) . . ?
C110 C120 H12A 108.9 . . ?
P12 C120 H12A 108.9 . . ?
C110 C120 H12B 108.9 . . ?
P12 C120 H12B 108.9 . . ?
H12A C120 H12B 107.7 . . ?
O15 C121 C122 108.8(8) . . ?
O15 C121 C123 103.7(10) . . ?
C122 C121 C123 105.3(9) . . ?
O15 C121 H121 112.8 . . ?
C122 C121 H121 112.8 . . ?
C123 C121 H121 112.8 . . ?
C121 C122 H12C 109.5 . . ?
C121 C122 H12D 109.5 . . ?
H12C C122 H12D 109.5 . . ?
C121 C122 H12E 109.5 . . ?
H12C C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
C121 C123 H12G 109.5 . . ?
H12F C123 H12G 109.5 . . ?
C121 C123 H12H 109.5 . . ?
H12F C123 H12H 109.5 . . ?
H12G C123 H12H 109.5 . . ?
C126 C124 O16 108.3(6) . . ?
C126 C124 C125 113.8(7) . . ?
O16 C124 C125 105.3(6) . . ?
C126 C124 H124 109.7 . . ?
O16 C124 H124 109.7 . . ?
C125 C124 H124 109.7 . . ?
C124 C125 H12I 109.5 . . ?
C124 C125 H12J 109.5 . . ?
H12I C125 H12J 109.5 . . ?
C124 C125 H12K 109.5 . . ?
H12I C125 H12K 109.5 . . ?
H12J C125 H12K 109.5 . . ?
C124 C126 H12L 109.5 . . ?
C124 C126 H12M 109.5 . . ?
H12L C126 H12M 109.5 . . ?
C124 C126 H12N 109.5 . . ?
H12L C126 H12N 109.5 . . ?
H12M C126 H12N 109.5 . . ?
C28 C210 H21A 109.5 . . ?
C28 C210 H21B 109.5 . . ?
H21A C210 H21B 109.5 . . ?
C28 C210 H21C 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
O23 C211 C213 107.3(5) . . ?
O23 C211 C212 106.7(6) . . ?
C213 C211 C212 113.5(6) . . ?
O23 C211 H211 109.7 . . ?
C213 C211 H211 109.7 . . ?
C212 C211 H211 109.7 . . ?
C211 C212 H21D 109.5 . . ?
C211 C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
C211 C212 H21F 109.5 . . ?
H21D C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C211 C213 H21G 109.5 . . ?
C211 C213 H21H 109.5 . . ?
H21G C213 H21H 109.5 . . ?
C211 C213 H21I 109.5 . . ?
H21G C213 H21I 109.5 . . ?
H21H C213 H21I 109.5 . . ?

_refine_diff_density_max         3.380
_refine_diff_density_min         -1.156
_refine_diff_density_rms         0.127

####################################################################### 
# 
# 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_EuTbYL5
_database_code_depnum_ccdc_archive 'CCDC 1569994'
_audit_update_record             
;
2017-08-21 deposited with the CCDC.
2017-09-01 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_SHFSU01_EuTbYL5             
;
PROBLEM: The absolute value of parameter shift to su ratio > 0.20
RESPONSE: Poor crystal quality and large disorder
;
_vrf_PLAT080_EuTbYL5             
;
PROBLEM: Maximum Shift/Error ............................       1.66 Why ?
RESPONSE: Poor crystal quality and large disorder
;
_vrf_PLAT084_EuTbYL5             
;
PROBLEM: High wR2 Value (i.e. &gt; 0.25) ...................       0.56 Report
RESPONSE: Poor crystal quality and large disorder
;
_vrf_PLAT934_EuTbYL5             
;
PROBLEM: Number of (Iobs-Icalc)/SigmaW &gt; 10 Outliers ....         89 Check
RESPONSE: Poor crystal quality and large disorder
;
_vrf_PLAT082_EuTbYL5             
;
PROBLEM: High R1 Value ..................................       0.18 Report
RESPONSE: Poor crystal quality and large disorder
;
_vrf_PLAT097_EuTbYL5             
;
PROBLEM: Large Reported Max.  (Positive) Residual Density       7.90 eA-3
RESPONSE: Poor crystal quality and large disorder
;
_vrf_PLAT201_EuTbYL5             
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......          4 Report
RESPONSE: Poor crystal quality and large disorder
;
# Added during the CSD deposition process: Monday 21 August 2017 12:15 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H60 Eu0.16 N3 O18 P3 Tb0.70 Y0.14'
_chemical_formula_weight         1099.97

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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

_cell_length_a                   16.5126(5)
_cell_length_b                   13.4910(4)
_cell_length_c                   22.5623(7)
_cell_angle_alpha                90
_cell_angle_beta                 104.149(2)
_cell_angle_gamma                90
_cell_volume                     4873.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    40418
_cell_measurement_theta_min      1.75
_cell_measurement_theta_max      29.15

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_F_000             2260
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    1.560
_shelx_estimated_absorpt_T_min   0.800
_shelx_estimated_absorpt_T_max   0.940
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in
F. R. Ahmed (Editor), "Crystallographic Computing",
Munksgaard, Copenhagen (1970), 255 - 270
;
_exptl_absorpt_correction_T_min  0.8084
_exptl_absorpt_correction_T_max  0.9470
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'

_diffrn_detector                 Pilatus200K
_diffrn_detector_type            'DECTRIS PILATUS 200K'
_diffrn_detector_area_resol_mean 5.81

_diffrn_source                   'Mo Genix'
_diffrn_source_type              ?
_diffrn_radiation_probe          x-ray
_diffrn_source_target            ?
_diffrn_source_voltage           50
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_collimation    '1.2 0.6 mm diameter'

_diffrn_ambient_temperature      100

_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_measurement_details      
; 607 frames, detector distance = 60 mm
;
_diffrn_reflns_number            30749
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.750
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8568
_reflns_number_gt                6587
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8568
_refine_ls_number_parameters     564
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.2120
_refine_ls_R_factor_gt           0.1848
_refine_ls_wR_factor_ref         0.5560
_refine_ls_wR_factor_gt          0.5408
_refine_ls_goodness_of_fit_ref   2.569
_refine_ls_restrained_S_all      2.572
_refine_ls_shift/su_max          1.659
_refine_ls_shift/su_mean         0.020

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
Tb1 Tb 0.50795(11) 0.76736(16) 0.79979(10) 0.048(4) Uani 0.704(3) 1 d . . P A 1
Eu1 Eu 0.5089 0.7653 0.8015 0.01(2) Uiso 0.161(3) 1 d . . P A 2
Y1 Y 0.5089 0.7653 0.8015 0.018(12) Uiso 0.135(3) 1 d . . P A 3
N111 N 0.3277(14) 0.7736(16) 0.7637(13) 0.063(6) Uani 1 1 d . . . . .
N112 N 0.4950(11) 0.8122(14) 0.9218(8) 0.041(4) Uani 1 1 d . . . . .
N113 N 0.692(2) 0.7710(18) 0.8296(9) 0.081(9) Uani 1 1 d . . . . .
O12 O 0.3888(9) 0.6803(13) 0.5902(6) 0.053(4) Uani 1 1 d D . . . .
O13 O 0.5151(10) 0.5796(12) 0.6332(7) 0.054(4) Uani 1 1 d . . . . .
O14 O 0.5370(11) 0.5971(11) 0.8153(6) 0.053(4) Uani 1 1 d . . . . .
O15 O 0.5833(11) 0.4193(12) 0.8331(7) 0.053(4) Uani 1 1 d . . . . .
O16 O 0.4854(10) 0.4828(13) 0.8908(7) 0.057(4) Uani 1 1 d . . . . .
O21 O 0.5438(9) 0.9223(12) 0.7736(6) 0.047(4) Uani 1 1 d . . . . .
O22 O 0.5068(9) 1.1049(12) 0.7591(7) 0.050(4) Uani 1 1 d . . . . .
O23 O 0.6328(10) 1.0618(12) 0.8373(7) 0.050(4) Uani 1 1 d . . . . .
O111 O 0.3687(11) 0.7021(12) 0.7949(8) 0.056(4) Uani 1 1 d . . . . .
O112 O 0.2537(13) 0.7697(15) 0.7396(13) 0.091(8) Uani 1 1 d . . . . .
O113 O 0.3725(10) 0.8478(11) 0.7539(8) 0.059(5) Uani 1 1 d . . . . .
O114 O 0.4797(9) 0.8764(12) 0.8783(7) 0.049(4) Uani 1 1 d . . . . .
O115 O 0.4963(12) 0.8395(14) 0.9758(8) 0.069(5) Uani 1 1 d . . . . .
O116 O 0.5072(12) 0.7280(13) 0.9107(8) 0.055(5) Uani 1 1 d . . . . .
O117 O 0.6486(10) 0.7799(12) 0.8655(7) 0.048(4) Uani 1 1 d . . . . .
O118 O 0.7668(13) 0.7754(19) 0.8354(14) 0.098(9) Uani 1 1 d . . . . .
O119 O 0.6448(9) 0.7483(11) 0.7713(6) 0.043(4) Uani 1 1 d . . . . .
P11 P 0.4439(4) 0.6405(5) 0.6519(3) 0.0480(15) Uani 1 1 d . . . . .
P12 P 0.5574(4) 0.5158(4) 0.8614(3) 0.0439(14) Uani 1 1 d . . . . .
P21 P 0.5755(3) 1.0256(4) 0.7741(2) 0.0394(14) Uani 1 1 d . . . . .
C11 C 0.3498(16) 0.4641(19) 0.6376(11) 0.053(6) Uani 1 1 d . . . . .
C12 C 0.2698(18) 0.439(2) 0.6270(13) 0.079(10) Uani 1 1 d . . . . .
H12 H 0.2350 0.4794 0.6445 0.094 Uiso 1 1 calc R U . . .
C13 C 0.2308(19) 0.356(2) 0.5917(13) 0.076(8) Uani 1 1 d . . . . .
H13 H 0.1721 0.3463 0.5829 0.091 Uiso 1 1 calc R U . . .
C14 C 0.2844(13) 0.2866(18) 0.5699(9) 0.043(5) Uani 1 1 d . . . . .
C15 C 0.367(2) 0.314(2) 0.5799(19) 0.099(13) Uani 1 1 d . . . . .
H15 H 0.4035 0.2727 0.5645 0.119 Uiso 1 1 calc R U . . .
C16 C 0.400(2) 0.399(3) 0.6112(18) 0.105(14) Uani 1 1 d . . . . .
H16 H 0.4572 0.4149 0.6152 0.126 Uiso 1 1 calc R U . . .
C17 C 0.7484(13) 0.3020(17) 1.0361(10) 0.041(5) Uani 1 1 d . . . . .
C18 C 0.6711(15) 0.3416(18) 1.0382(10) 0.049(5) Uani 1 1 d . . . . .
H18 H 0.6418 0.3112 1.0647 0.059 Uiso 1 1 calc R U . . .
C19 C 0.6359(13) 0.4185(14) 1.0058(9) 0.039(5) Uani 1 1 d . . . . .
H19 H 0.5833 0.4429 1.0094 0.047 Uiso 1 1 calc R U . . .
C110 C 0.6775(13) 0.4627(17) 0.9665(9) 0.045(5) Uani 1 1 d . . . . .
C111 C 0.7576(12) 0.4358(19) 0.9675(10) 0.049(6) Uani 1 1 d . . . . .
H111 H 0.7905 0.4730 0.9463 0.059 Uiso 1 1 calc R U . . .
C112 C 0.7888(13) 0.352(2) 1.0006(9) 0.053(6) Uani 1 1 d . . . . .
H112 H 0.8421 0.3282 0.9981 0.064 Uiso 1 1 calc R U . . .
C21 C 0.5985(13) 1.031(2) 0.6578(8) 0.050(6) Uani 1 1 d . . . . .
C22 C 0.5877(16) 1.110(2) 0.6182(10) 0.056(6) Uani 1 1 d . . . . .
H22 H 0.6082 1.1742 0.6322 0.068 Uiso 1 1 calc R U . . .
C23 C 0.5467(16) 1.0954(19) 0.5578(12) 0.058(6) Uani 1 1 d . . . . .
H23 H 0.5342 1.1516 0.5318 0.070 Uiso 1 1 calc R U . . .
C24 C 0.5247(14) 1.0097(18) 0.5351(11) 0.050(6) Uani 1 1 d . . . . .
C25 C 0.5366(15) 0.9292(16) 0.5746(10) 0.049(6) Uani 1 1 d . . . . .
H25 H 0.5172 0.8655 0.5595 0.058 Uiso 1 1 calc R U . . .
C26 C 0.5759(13) 0.9410(19) 0.6348(9) 0.046(5) Uani 1 1 d . . . . .
H26 H 0.5873 0.8845 0.6606 0.055 Uiso 1 1 calc R U . . .
C27 C 0.6462(14) 1.0453(19) 0.7278(9) 0.051(6) Uani 1 1 d . . . . .
H27A H 0.6695 1.1132 0.7344 0.061 Uiso 1 1 calc R U . . .
H27B H 0.6930 0.9976 0.7390 0.061 Uiso 1 1 calc R U . . .
C28 C 0.4157(16) 1.080(3) 0.7359(14) 0.083(10) Uani 1 1 d . . . . .
H28 H 0.4120 1.0094 0.7211 0.100 Uiso 1 1 calc R U . . .
C29 C 0.385(2) 1.139(5) 0.6863(17) 0.15(2) Uani 1 1 d . . . . .
H29A H 0.3251 1.1249 0.6698 0.219 Uiso 1 1 calc R U . . .
H29B H 0.3913 1.2089 0.6989 0.219 Uiso 1 1 calc R U . . .
H29C H 0.4149 1.1267 0.6547 0.219 Uiso 1 1 calc R U . . .
C113 C 0.3854(14) 0.5463(16) 0.6792(9) 0.047(5) Uani 1 1 d . . . . .
H11A H 0.4223 0.5170 0.7164 0.056 Uiso 1 1 calc R U . . .
H11B H 0.3388 0.5792 0.6920 0.056 Uiso 1 1 calc R U . . .
C117 C 0.579(2) 0.629(3) 0.6108(18) 0.095(13) Uani 1 1 d . . . . .
H117 H 0.5739 0.7025 0.6096 0.114 Uiso 1 1 calc R U . . .
C118 C 0.659(3) 0.594(6) 0.649(3) 0.23(4) Uani 1 1 d . . . . .
H11I H 0.6679 0.6217 0.6898 0.351 Uiso 1 1 calc R U . . .
H11J H 0.6584 0.5212 0.6509 0.351 Uiso 1 1 calc R U . . .
H11K H 0.7043 0.6149 0.6304 0.351 Uiso 1 1 calc R U . . .
C119 C 0.571(2) 0.587(7) 0.554(2) 0.26(5) Uani 1 1 d . . . . .
H11L H 0.6129 0.6154 0.5347 0.389 Uiso 1 1 calc R U . . .
H11M H 0.5802 0.5149 0.5586 0.389 Uiso 1 1 calc R U . . .
H11N H 0.5151 0.5996 0.5286 0.389 Uiso 1 1 calc R U . . .
C120 C 0.6376(13) 0.5548(16) 0.9261(10) 0.042(5) Uani 1 1 d . . . . .
H12A H 0.6817 0.5904 0.9118 0.050 Uiso 1 1 calc R U . . .
H12B H 0.6136 0.6011 0.9513 0.050 Uiso 1 1 calc R U . . .
C121 C 0.634(4) 0.414(3) 0.789(2) 0.134(19) Uani 1 1 d . . . . .
H121 H 0.6490 0.4797 0.7750 0.161 Uiso 1 1 calc R U . . .
C122 C 0.7031(19) 0.346(4) 0.8080(17) 0.128(19) Uani 1 1 d . . . . .
H12C H 0.7354 0.3450 0.7770 0.192 Uiso 1 1 calc R U . . .
H12D H 0.7389 0.3685 0.8471 0.192 Uiso 1 1 calc R U . . .
H12E H 0.6820 0.2796 0.8129 0.192 Uiso 1 1 calc R U . . .
C123 C 0.565(4) 0.348(3) 0.7348(18) 0.15(2) Uani 1 1 d . . . . .
H12F H 0.5887 0.3362 0.6998 0.223 Uiso 1 1 calc R U . . .
H12G H 0.5531 0.2842 0.7519 0.223 Uiso 1 1 calc R U . . .
H12H H 0.5126 0.3854 0.7215 0.223 Uiso 1 1 calc R U . . .
C124 C 0.4168(17) 0.414(2) 0.8569(11) 0.070(8) Uani 1 1 d . . . . .
H124 H 0.4327 0.3818 0.8216 0.084 Uiso 1 1 calc R U . . .
C125 C 0.4052(16) 0.339(2) 0.9026(13) 0.069(7) Uani 1 1 d . . . . .
H12I H 0.3613 0.2926 0.8832 0.103 Uiso 1 1 calc R U . . .
H12J H 0.4576 0.3032 0.9182 0.103 Uiso 1 1 calc R U . . .
H12K H 0.3892 0.3728 0.9366 0.103 Uiso 1 1 calc R U . . .
C126 C 0.3367(17) 0.477(2) 0.8352(11) 0.063(7) Uani 1 1 d . . . . .
H12L H 0.3451 0.5261 0.8052 0.095 Uiso 1 1 calc R U . . .
H12M H 0.2898 0.4338 0.8164 0.095 Uiso 1 1 calc R U . . .
H12N H 0.3243 0.5114 0.8703 0.095 Uiso 1 1 calc R U . . .
C210 C 0.3751(19) 1.084(2) 0.7901(15) 0.084(9) Uani 1 1 d . . . . .
H21A H 0.4034 1.0382 0.8220 0.125 Uiso 1 1 calc R U . . .
H21B H 0.3799 1.1520 0.8066 0.125 Uiso 1 1 calc R U . . .
H21C H 0.3159 1.0664 0.7764 0.125 Uiso 1 1 calc R U . . .
C211 C 0.5997(16) 1.069(2) 0.8937(9) 0.054(6) Uani 1 1 d . . . . .
H211 H 0.5413 1.0431 0.8856 0.064 Uiso 1 1 calc R U . . .
C212 C 0.6561(16) 1.0120(19) 0.9426(10) 0.058(6) Uani 1 1 d . . . . .
H21D H 0.6524 0.9415 0.9319 0.086 Uiso 1 1 calc R U . . .
H21E H 0.7136 1.0349 0.9472 0.086 Uiso 1 1 calc R U . . .
H21F H 0.6398 1.0218 0.9811 0.086 Uiso 1 1 calc R U . . .
C213 C 0.6019(16) 1.1786(19) 0.9067(9) 0.055(6) Uani 1 1 d . . . . .
H21G H 0.5635 1.2130 0.8730 0.082 Uiso 1 1 calc R U . . .
H21H H 0.5848 1.1904 0.9448 0.082 Uiso 1 1 calc R U . . .
H21I H 0.6587 1.2036 0.9108 0.082 Uiso 1 1 calc R U . . .
O11 O 0.4062(10) 0.7340(10) 0.6961(7) 0.041(3) Uiso 1 1 d . . . . .
C114 C 0.3057(11) 0.7469(12) 0.5861(9) 0.032(4) Uiso 1 1 d D . . . .
H114 H 0.2819 0.7370 0.6223 0.038 Uiso 1 1 calc R U . . .
C116 C 0.252(2) 0.695(3) 0.5278(12) 0.093(10) Uiso 1 1 d D . . . .
H11C H 0.1976 0.7275 0.5153 0.140 Uiso 1 1 calc R U . . .
H11D H 0.2447 0.6251 0.5368 0.140 Uiso 1 1 calc R U . . .
H11E H 0.2810 0.7000 0.4947 0.140 Uiso 1 1 calc R U . . .
C115 C 0.3330(19) 0.8523(17) 0.5808(14) 0.077(8) Uiso 1 1 d D . . . .
H11F H 0.3643 0.8565 0.5492 0.116 Uiso 1 1 calc R U . . .
H11G H 0.3687 0.8737 0.6201 0.116 Uiso 1 1 calc R U . . .
H11H H 0.2837 0.8952 0.5698 0.116 Uiso 1 1 calc R 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
Tb1 O21 2.288(16) . ?
Tb1 O14 2.355(15) . ?
Tb1 O114 2.433(14) . ?
Tb1 O117 2.436(16) . ?
Tb1 O111 2.439(16) . ?
Tb1 O113 2.474(15) . ?
Tb1 O119 2.509(16) . ?
Tb1 O116 2.561(16) . ?
Tb1 O11 2.564(16) . ?
Tb1 N112 2.877(18) . ?
Tb1 N111 2.89(2) . ?
Tb1 N113 2.95(4) . ?
Eu1 O21 2.321(15) . ?
Eu1 O14 2.323(15) . ?
Eu1 O117 2.412(16) . ?
Eu1 O114 2.427(14) . ?
Eu1 O111 2.437(16) . ?
Eu1 O113 2.505(15) . ?
Eu1 O119 2.510(16) . ?
Eu1 O116 2.522(16) . ?
Eu1 O11 2.594(16) . ?
Eu1 N112 2.851(18) . ?
Eu1 N111 2.91(2) . ?
Eu1 N113 2.94(4) . ?
Y1 O21 2.321(15) . ?
Y1 O14 2.323(15) . ?
Y1 O117 2.412(16) . ?
Y1 O114 2.427(14) . ?
Y1 O111 2.437(16) . ?
Y1 O113 2.505(15) . ?
Y1 O119 2.510(16) . ?
Y1 O116 2.522(16) . ?
Y1 O11 2.594(16) . ?
Y1 N112 2.851(18) . ?
Y1 N111 2.91(2) . ?
Y1 N113 2.94(4) . ?
N111 O112 1.21(3) . ?
N111 O111 1.29(3) . ?
N111 O113 1.30(3) . ?
N112 O116 1.19(2) . ?
N112 O115 1.27(2) . ?
N112 O114 1.29(2) . ?
N113 O118 1.21(4) . ?
N113 O117 1.21(3) . ?
N113 O119 1.39(3) . ?
O12 P11 1.560(15) . ?
O12 C114 1.624(16) . ?
O13 C117 1.44(3) . ?
O13 P11 1.575(17) . ?
O14 P12 1.493(15) . ?
O15 C121 1.44(4) . ?
O15 P12 1.556(17) . ?
O16 C124 1.52(3) . ?
O16 P12 1.561(17) . ?
O21 P21 1.488(16) . ?
O22 C28 1.51(3) . ?
O22 P21 1.535(16) . ?
O23 C211 1.51(2) . ?
O23 P21 1.584(15) . ?
P11 C113 1.79(2) . ?
P11 O11 1.810(15) . ?
P12 C120 1.79(2) . ?
P21 C27 1.77(2) . ?
C11 C12 1.33(4) . ?
C11 C16 1.43(4) . ?
C11 C113 1.48(3) . ?
C12 C13 1.43(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.45(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.38(4) . ?
C14 C17 1.46(3) 4_565 ?
C15 C16 1.39(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C112 1.34(3) . ?
C17 C18 1.39(3) . ?
C17 C14 1.46(3) 4_666 ?
C18 C19 1.32(3) . ?
C18 H18 0.9500 . ?
C19 C110 1.38(3) . ?
C19 H19 0.9500 . ?
C110 C111 1.37(3) . ?
C110 C120 1.59(3) . ?
C111 C112 1.39(3) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C21 C26 1.34(3) . ?
C21 C22 1.38(3) . ?
C21 C27 1.59(3) . ?
C22 C23 1.38(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.28(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.39(3) . ?
C24 C24 1.62(5) 3_676 ?
C25 C26 1.36(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.37(5) . ?
C28 C210 1.53(4) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C113 H11A 0.9900 . ?
C113 H11B 0.9900 . ?
C117 C119 1.38(6) . ?
C117 C118 1.46(7) . ?
C117 H117 1.0000 . ?
C118 H11I 0.9800 . ?
C118 H11J 0.9800 . ?
C118 H11K 0.9800 . ?
C119 H11L 0.9800 . ?
C119 H11M 0.9800 . ?
C119 H11N 0.9800 . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C121 C122 1.44(5) . ?
C121 C123 1.71(7) . ?
C121 H121 1.0000 . ?
C122 H12C 0.9800 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C124 C125 1.49(4) . ?
C124 C126 1.55(4) . ?
C124 H124 1.0000 . ?
C125 H12I 0.9800 . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C126 H12L 0.9800 . ?
C126 H12M 0.9800 . ?
C126 H12N 0.9800 . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 C212 1.48(3) . ?
C211 C213 1.50(4) . ?
C211 H211 1.0000 . ?
C212 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C213 H21G 0.9800 . ?
C213 H21H 0.9800 . ?
C213 H21I 0.9800 . ?
C114 C115 1.505(18) . ?
C114 C116 1.559(18) . ?
C114 H114 1.0000 . ?
C116 H11C 0.9800 . ?
C116 H11D 0.9800 . ?
C116 H11E 0.9800 . ?
C115 H11F 0.9800 . ?
C115 H11G 0.9800 . ?
C115 H11H 0.9800 . ?

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
O21 Tb1 O14 150.8(6) . . ?
O21 Tb1 O114 75.2(5) . . ?
O14 Tb1 O114 123.4(6) . . ?
O21 Tb1 O117 80.0(5) . . ?
O14 Tb1 O117 81.3(5) . . ?
O114 Tb1 O117 80.7(5) . . ?
O21 Tb1 O111 128.2(6) . . ?
O14 Tb1 O111 79.0(6) . . ?
O114 Tb1 O111 84.5(6) . . ?
O117 Tb1 O111 143.2(6) . . ?
O21 Tb1 O113 75.8(5) . . ?
O14 Tb1 O113 128.4(5) . . ?
O114 Tb1 O113 74.0(5) . . ?
O117 Tb1 O113 148.6(5) . . ?
O111 Tb1 O113 52.7(6) . . ?
O21 Tb1 O119 73.9(5) . . ?
O14 Tb1 O119 77.0(6) . . ?
O114 Tb1 O119 126.4(5) . . ?
O117 Tb1 O119 51.6(5) . . ?
O111 Tb1 O119 148.1(5) . . ?
O113 Tb1 O119 135.8(6) . . ?
O21 Tb1 O116 120.3(5) . . ?
O14 Tb1 O116 72.7(5) . . ?
O114 Tb1 O116 50.7(5) . . ?
O117 Tb1 O116 69.6(5) . . ?
O111 Tb1 O116 74.9(6) . . ?
O113 Tb1 O116 106.3(6) . . ?
O119 Tb1 O116 116.7(5) . . ?
O21 Tb1 O11 94.5(5) . . ?
O14 Tb1 O11 91.6(5) . . ?
O114 Tb1 O11 124.8(5) . . ?
O117 Tb1 O11 151.9(5) . . ?
O111 Tb1 O11 59.7(5) . . ?
O113 Tb1 O11 51.1(5) . . ?
O119 Tb1 O11 100.3(5) . . ?
O116 Tb1 O11 134.1(6) . . ?
O21 Tb1 N112 98.0(5) . . ?
O14 Tb1 N112 97.1(5) . . ?
O114 Tb1 N112 26.4(5) . . ?
O117 Tb1 N112 71.7(5) . . ?
O111 Tb1 N112 80.2(5) . . ?
O113 Tb1 N112 92.1(6) . . ?
O119 Tb1 N112 123.3(5) . . ?
O116 Tb1 N112 24.4(5) . . ?
O11 Tb1 N112 136.4(5) . . ?
O21 Tb1 N111 102.4(6) . . ?
O14 Tb1 N111 103.2(6) . . ?
O114 Tb1 N111 79.6(6) . . ?
O117 Tb1 N111 158.8(7) . . ?
O111 Tb1 N111 26.2(6) . . ?
O113 Tb1 N111 26.5(6) . . ?
O119 Tb1 N111 149.5(6) . . ?
O116 Tb1 N111 91.8(7) . . ?
O11 Tb1 N111 49.3(6) . . ?
N112 Tb1 N111 87.2(7) . . ?
O21 Tb1 N113 74.1(6) . . ?
O14 Tb1 N113 79.7(6) . . ?
O114 Tb1 N113 101.2(6) . . ?
O117 Tb1 N113 23.7(5) . . ?
O111 Tb1 N113 157.5(6) . . ?
O113 Tb1 N113 149.8(6) . . ?
O119 Tb1 N113 28.0(5) . . ?
O116 Tb1 N113 91.8(6) . . ?
O11 Tb1 N113 128.3(5) . . ?
N112 Tb1 N113 95.3(5) . . ?
N111 Tb1 N113 175.9(7) . . ?
O21 Eu1 O14 150.8(6) . . ?
O21 Eu1 O117 79.8(5) . . ?
O14 Eu1 O117 82.5(5) . . ?
O21 Eu1 O114 74.7(5) . . ?
O14 Eu1 O114 125.1(5) . . ?
O117 Eu1 O114 81.4(5) . . ?
O21 Eu1 O111 126.7(6) . . ?
O14 Eu1 O111 79.7(6) . . ?
O117 Eu1 O111 145.1(6) . . ?
O114 Eu1 O111 84.7(5) . . ?
O21 Eu1 O113 74.7(5) . . ?
O14 Eu1 O113 128.4(5) . . ?
O117 Eu1 O113 148.0(5) . . ?
O114 Eu1 O113 73.6(5) . . ?
O111 Eu1 O113 52.3(6) . . ?
O21 Eu1 O119 73.3(5) . . ?
O14 Eu1 O119 77.5(6) . . ?
O117 Eu1 O119 51.8(5) . . ?
O114 Eu1 O119 126.7(5) . . ?
O111 Eu1 O119 148.2(5) . . ?
O113 Eu1 O119 134.0(5) . . ?
O21 Eu1 O116 120.7(5) . . ?
O14 Eu1 O116 73.9(5) . . ?
O117 Eu1 O116 70.6(5) . . ?
O114 Eu1 O116 51.2(5) . . ?
O111 Eu1 O116 75.7(6) . . ?
O113 Eu1 O116 106.5(6) . . ?
O119 Eu1 O116 118.1(5) . . ?
O21 Eu1 O11 92.9(5) . . ?
O14 Eu1 O11 91.6(5) . . ?
O117 Eu1 O11 151.3(5) . . ?
O114 Eu1 O11 123.7(5) . . ?
O111 Eu1 O11 59.3(5) . . ?
O113 Eu1 O11 50.4(5) . . ?
O119 Eu1 O11 99.4(4) . . ?
O116 Eu1 O11 134.6(6) . . ?
O21 Eu1 N112 98.0(5) . . ?
O14 Eu1 N112 98.6(5) . . ?
O117 Eu1 N112 72.5(5) . . ?
O114 Eu1 N112 26.7(5) . . ?
O111 Eu1 N112 80.8(5) . . ?
O113 Eu1 N112 92.1(6) . . ?
O119 Eu1 N112 124.3(5) . . ?
O116 Eu1 N112 24.7(5) . . ?
O11 Eu1 N112 136.2(5) . . ?
O21 Eu1 N111 101.0(6) . . ?
O14 Eu1 N111 103.6(6) . . ?
O117 Eu1 N111 159.7(7) . . ?
O114 Eu1 N111 79.4(6) . . ?
O111 Eu1 N111 26.0(6) . . ?
O113 Eu1 N111 26.4(6) . . ?
O119 Eu1 N111 148.1(6) . . ?
O116 Eu1 N111 92.2(7) . . ?
O11 Eu1 N111 48.9(6) . . ?
N112 Eu1 N111 87.4(7) . . ?
O21 Eu1 N113 74.0(6) . . ?
O14 Eu1 N113 80.5(6) . . ?
O117 Eu1 N113 23.7(5) . . ?
O114 Eu1 N113 101.8(6) . . ?
O111 Eu1 N113 159.3(6) . . ?
O113 Eu1 N113 148.4(6) . . ?
O119 Eu1 N113 28.2(5) . . ?
O116 Eu1 N113 92.9(6) . . ?
O11 Eu1 N113 127.6(5) . . ?
N112 Eu1 N113 96.2(5) . . ?
N111 Eu1 N113 174.2(7) . . ?
O21 Y1 O14 150.8(6) . . ?
O21 Y1 O117 79.8(5) . . ?
O14 Y1 O117 82.5(5) . . ?
O21 Y1 O114 74.7(5) . . ?
O14 Y1 O114 125.1(5) . . ?
O117 Y1 O114 81.4(5) . . ?
O21 Y1 O111 126.7(6) . . ?
O14 Y1 O111 79.7(6) . . ?
O117 Y1 O111 145.1(6) . . ?
O114 Y1 O111 84.7(5) . . ?
O21 Y1 O113 74.7(5) . . ?
O14 Y1 O113 128.4(5) . . ?
O117 Y1 O113 148.0(5) . . ?
O114 Y1 O113 73.6(5) . . ?
O111 Y1 O113 52.3(6) . . ?
O21 Y1 O119 73.3(5) . . ?
O14 Y1 O119 77.5(6) . . ?
O117 Y1 O119 51.8(5) . . ?
O114 Y1 O119 126.7(5) . . ?
O111 Y1 O119 148.2(5) . . ?
O113 Y1 O119 134.0(5) . . ?
O21 Y1 O116 120.7(5) . . ?
O14 Y1 O116 73.9(5) . . ?
O117 Y1 O116 70.6(5) . . ?
O114 Y1 O116 51.2(5) . . ?
O111 Y1 O116 75.7(6) . . ?
O113 Y1 O116 106.5(6) . . ?
O119 Y1 O116 118.1(5) . . ?
O21 Y1 O11 92.9(5) . . ?
O14 Y1 O11 91.6(5) . . ?
O117 Y1 O11 151.3(5) . . ?
O114 Y1 O11 123.7(5) . . ?
O111 Y1 O11 59.3(5) . . ?
O113 Y1 O11 50.4(5) . . ?
O119 Y1 O11 99.4(4) . . ?
O116 Y1 O11 134.6(6) . . ?
O21 Y1 N112 98.0(5) . . ?
O14 Y1 N112 98.6(5) . . ?
O117 Y1 N112 72.5(5) . . ?
O114 Y1 N112 26.7(5) . . ?
O111 Y1 N112 80.8(5) . . ?
O113 Y1 N112 92.1(6) . . ?
O119 Y1 N112 124.3(5) . . ?
O116 Y1 N112 24.7(5) . . ?
O11 Y1 N112 136.2(5) . . ?
O21 Y1 N111 101.0(6) . . ?
O14 Y1 N111 103.6(6) . . ?
O117 Y1 N111 159.7(7) . . ?
O114 Y1 N111 79.4(6) . . ?
O111 Y1 N111 26.0(6) . . ?
O113 Y1 N111 26.4(6) . . ?
O119 Y1 N111 148.1(6) . . ?
O116 Y1 N111 92.2(7) . . ?
O11 Y1 N111 48.9(6) . . ?
N112 Y1 N111 87.4(7) . . ?
O21 Y1 N113 74.0(6) . . ?
O14 Y1 N113 80.5(6) . . ?
O117 Y1 N113 23.7(5) . . ?
O114 Y1 N113 101.8(6) . . ?
O111 Y1 N113 159.3(6) . . ?
O113 Y1 N113 148.4(6) . . ?
O119 Y1 N113 28.2(5) . . ?
O116 Y1 N113 92.9(6) . . ?
O11 Y1 N113 127.6(5) . . ?
N112 Y1 N113 96.2(5) . . ?
N111 Y1 N113 174.2(7) . . ?
O112 N111 O111 123(2) . . ?
O112 N111 O113 121(2) . . ?
O111 N111 O113 115(2) . . ?
O112 N111 Tb1 169(2) . . ?
O111 N111 Tb1 57.0(11) . . ?
O113 N111 Tb1 58.5(11) . . ?
O112 N111 Y1 170(2) . . ?
O111 N111 Y1 56.2(11) . . ?
O113 N111 Y1 59.3(11) . . ?
O112 N111 Eu1 170(2) . . ?
O111 N111 Eu1 56.2(11) . . ?
O113 N111 Eu1 59.3(11) . . ?
O116 N112 O115 121.1(17) . . ?
O116 N112 O114 119.5(17) . . ?
O115 N112 O114 119.4(18) . . ?
O116 N112 Eu1 62.0(10) . . ?
O115 N112 Eu1 173.2(14) . . ?
O114 N112 Eu1 57.9(9) . . ?
O116 N112 Y1 62.0(10) . . ?
O115 N112 Y1 173.2(14) . . ?
O114 N112 Y1 57.9(9) . . ?
O116 N112 Tb1 62.7(11) . . ?
O115 N112 Tb1 173.1(14) . . ?
O114 N112 Tb1 57.2(9) . . ?
O118 N113 O117 133(3) . . ?
O118 N113 O119 116(2) . . ?
O117 N113 O119 111(3) . . ?
O118 N113 Y1 174(2) . . ?
O117 N113 Y1 53.1(16) . . ?
O119 N113 Y1 58.5(14) . . ?
O118 N113 Eu1 174(2) . . ?
O117 N113 Eu1 53.1(16) . . ?
O119 N113 Eu1 58.5(14) . . ?
O118 N113 Tb1 173(2) . . ?
O117 N113 Tb1 53.7(16) . . ?
O119 N113 Tb1 58.0(14) . . ?
P11 O12 C114 122.8(12) . . ?
C117 O13 P11 121.1(18) . . ?
P12 O14 Y1 144.6(9) . . ?
P12 O14 Eu1 144.6(9) . . ?
P12 O14 Tb1 145.4(9) . . ?
C121 O15 P12 126.0(19) . . ?
C124 O16 P12 120.9(14) . . ?
P21 O21 Tb1 165.1(9) . . ?
P21 O21 Eu1 164.3(9) . . ?
P21 O21 Y1 164.3(9) . . ?
C28 O22 P21 122.6(18) . . ?
C211 O23 P21 121.4(14) . . ?
N111 O111 Y1 97.8(13) . . ?
N111 O111 Eu1 97.8(13) . . ?
N111 O111 Tb1 96.8(13) . . ?
N111 O113 Tb1 94.9(13) . . ?
N111 O113 Eu1 94.3(13) . . ?
N111 O113 Y1 94.3(13) . . ?
N112 O114 Y1 95.4(12) . . ?
N112 O114 Eu1 95.4(12) . . ?
N112 O114 Tb1 96.4(12) . . ?
N112 O116 Y1 93.3(12) . . ?
N112 O116 Eu1 93.3(12) . . ?
N112 O116 Tb1 92.8(12) . . ?
N113 O117 Y1 103.2(17) . . ?
N113 O117 Eu1 103.2(17) . . ?
N113 O117 Tb1 102.7(17) . . ?
N113 O119 Tb1 94.0(16) . . ?
N113 O119 Eu1 93.3(16) . . ?
N113 O119 Y1 93.3(16) . . ?
O12 P11 O13 104.5(9) . . ?
O12 P11 C113 107.8(9) . . ?
O13 P11 C113 102.8(10) . . ?
O12 P11 O11 92.8(8) . . ?
O13 P11 O11 153.0(8) . . ?
C113 P11 O11 91.0(9) . . ?
O14 P12 O15 111.5(9) . . ?
O14 P12 O16 116.2(10) . . ?
O15 P12 O16 104.4(10) . . ?
O14 P12 C120 110.4(9) . . ?
O15 P12 C120 110.9(10) . . ?
O16 P12 C120 103.0(9) . . ?
O21 P21 O22 114.3(9) . . ?
O21 P21 O23 115.3(9) . . ?
O22 P21 O23 103.3(9) . . ?
O21 P21 C27 114.8(11) . . ?
O22 P21 C27 108.9(10) . . ?
O23 P21 C27 98.6(10) . . ?
C12 C11 C16 115(3) . . ?
C12 C11 C113 122(2) . . ?
C16 C11 C113 123(2) . . ?
C11 C12 C13 127(3) . . ?
C11 C12 H12 116.7 . . ?
C13 C12 H12 116.7 . . ?
C12 C13 C14 118(3) . . ?
C12 C13 H13 121.2 . . ?
C14 C13 H13 121.2 . . ?
C15 C14 C13 116(2) . . ?
C15 C14 C17 124(2) . 4_565 ?
C13 C14 C17 120(2) . 4_565 ?
C14 C15 C16 124(3) . . ?
C14 C15 H15 118.0 . . ?
C16 C15 H15 118.0 . . ?
C15 C16 C11 121(3) . . ?
C15 C16 H16 119.3 . . ?
C11 C16 H16 119.3 . . ?
C112 C17 C18 115(2) . . ?
C112 C17 C14 121(2) . 4_666 ?
C18 C17 C14 124(2) . 4_666 ?
C19 C18 C17 125(2) . . ?
C19 C18 H18 117.7 . . ?
C17 C18 H18 117.8 . . ?
C18 C19 C110 118(2) . . ?
C18 C19 H19 120.9 . . ?
C110 C19 H19 120.9 . . ?
C111 C110 C19 120.3(19) . . ?
C111 C110 C120 119(2) . . ?
C19 C110 C120 120.3(19) . . ?
C110 C111 C112 117(2) . . ?
C110 C111 H111 121.4 . . ?
C112 C111 H111 121.4 . . ?
C17 C112 C111 124(2) . . ?
C17 C112 H112 118.1 . . ?
C111 C112 H112 118.0 . . ?
C26 C21 C22 118.2(19) . . ?
C26 C21 C27 121(2) . . ?
C22 C21 C27 120(2) . . ?
C23 C22 C21 119(2) . . ?
C23 C22 H22 120.6 . . ?
C21 C22 H22 120.6 . . ?
C24 C23 C22 123(3) . . ?
C24 C23 H23 118.3 . . ?
C22 C23 H23 118.3 . . ?
C23 C24 C25 118(2) . . ?
C23 C24 C24 124(3) . 3_676 ?
C25 C24 C24 117(3) . 3_676 ?
C26 C25 C24 120(2) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C21 C26 C25 121(2) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C21 C27 P21 109.2(15) . . ?
C21 C27 H27A 109.8 . . ?
P21 C27 H27A 109.9 . . ?
C21 C27 H27B 109.8 . . ?
P21 C27 H27B 109.8 . . ?
H27A C27 H27B 108.3 . . ?
C29 C28 O22 107(3) . . ?
C29 C28 C210 118(3) . . ?
O22 C28 C210 108(2) . . ?
C29 C28 H28 107.7 . . ?
O22 C28 H28 107.7 . . ?
C210 C28 H28 107.7 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C11 C113 P11 118.5(17) . . ?
C11 C113 H11A 107.7 . . ?
P11 C113 H11A 107.7 . . ?
C11 C113 H11B 107.7 . . ?
P11 C113 H11B 107.7 . . ?
H11A C113 H11B 107.1 . . ?
C119 C117 O13 103(4) . . ?
C119 C117 C118 106(3) . . ?
O13 C117 C118 106(3) . . ?
C119 C117 H117 113.4 . . ?
O13 C117 H117 113.5 . . ?
C118 C117 H117 113.5 . . ?
C117 C118 H11I 109.5 . . ?
C117 C118 H11J 109.5 . . ?
H11I C118 H11J 109.5 . . ?
C117 C118 H11K 109.5 . . ?
H11I C118 H11K 109.5 . . ?
H11J C118 H11K 109.5 . . ?
C117 C119 H11L 109.5 . . ?
C117 C119 H11M 109.4 . . ?
H11L C119 H11M 109.5 . . ?
C117 C119 H11N 109.5 . . ?
H11L C119 H11N 109.5 . . ?
H11M C119 H11N 109.5 . . ?
C110 C120 P12 111.0(15) . . ?
C110 C120 H12A 109.4 . . ?
P12 C120 H12A 109.4 . . ?
C110 C120 H12B 109.4 . . ?
P12 C120 H12B 109.4 . . ?
H12A C120 H12B 108.0 . . ?
O15 C121 C122 112(3) . . ?
O15 C121 C123 97(4) . . ?
C122 C121 C123 103(3) . . ?
O15 C121 H121 114.2 . . ?
C122 C121 H121 114.1 . . ?
C123 C121 H121 114.2 . . ?
C121 C122 H12C 109.5 . . ?
C121 C122 H12D 109.5 . . ?
H12C C122 H12D 109.5 . . ?
C121 C122 H12E 109.4 . . ?
H12C C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
C121 C123 H12G 109.5 . . ?
H12F C123 H12G 109.5 . . ?
C121 C123 H12H 109.5 . . ?
H12F C123 H12H 109.5 . . ?
H12G C123 H12H 109.5 . . ?
C125 C124 O16 105.7(19) . . ?
C125 C124 C126 110(2) . . ?
O16 C124 C126 108(2) . . ?
C125 C124 H124 111.0 . . ?
O16 C124 H124 111.0 . . ?
C126 C124 H124 111.0 . . ?
C124 C125 H12I 109.5 . . ?
C124 C125 H12J 109.5 . . ?
H12I C125 H12J 109.5 . . ?
C124 C125 H12K 109.5 . . ?
H12I C125 H12K 109.5 . . ?
H12J C125 H12K 109.5 . . ?
C124 C126 H12L 109.5 . . ?
C124 C126 H12M 109.4 . . ?
H12L C126 H12M 109.5 . . ?
C124 C126 H12N 109.5 . . ?
H12L C126 H12N 109.5 . . ?
H12M C126 H12N 109.5 . . ?
C28 C210 H21A 109.5 . . ?
C28 C210 H21B 109.4 . . ?
H21A C210 H21B 109.5 . . ?
C28 C210 H21C 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
C212 C211 C213 112.7(19) . . ?
C212 C211 O23 108(2) . . ?
C213 C211 O23 103.5(18) . . ?
C212 C211 H211 110.9 . . ?
C213 C211 H211 110.9 . . ?
O23 C211 H211 110.9 . . ?
C211 C212 H21D 109.5 . . ?
C211 C212 H21E 109.4 . . ?
H21D C212 H21E 109.5 . . ?
C211 C212 H21F 109.5 . . ?
H21D C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C211 C213 H21G 109.5 . . ?
C211 C213 H21H 109.5 . . ?
H21G C213 H21H 109.5 . . ?
C211 C213 H21I 109.5 . . ?
H21G C213 H21I 109.5 . . ?
H21H C213 H21I 109.5 . . ?
P11 O11 Tb1 112.9(7) . . ?
P11 O11 Eu1 112.5(7) . . ?
P11 O11 Y1 112.5(7) . . ?
C115 C114 C116 118(2) . . ?
C115 C114 O12 105.2(17) . . ?
C116 C114 O12 95.5(17) . . ?
C115 C114 H114 112.0 . . ?
C116 C114 H114 112.1 . . ?
O12 C114 H114 112.1 . . ?
C114 C116 H11C 109.5 . . ?
C114 C116 H11D 109.4 . . ?
H11C C116 H11D 109.5 . . ?
C114 C116 H11E 109.5 . . ?
H11C C116 H11E 109.5 . . ?
H11D C116 H11E 109.5 . . ?
C114 C115 H11F 109.5 . . ?
C114 C115 H11G 109.5 . . ?
H11F C115 H11G 109.5 . . ?
C114 C115 H11H 109.5 . . ?
H11F C115 H11H 109.5 . . ?
H11G C115 H11H 109.5 . . ?

_refine_diff_density_max         7.896
_refine_diff_density_min         -4.525
_refine_diff_density_rms         0.435

####################################################################### 
# 
# 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 
# 
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data_L5
_database_code_depnum_ccdc_archive 'CCDC 1562260'
_audit_update_record             
;
2017-07-14 deposited with the CCDC.
2017-09-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H40 O6 P2'
_chemical_formula_weight         510.52

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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

_cell_length_a                   21.8266(18)
_cell_length_b                   5.8487(3)
_cell_length_c                   23.1849(18)
_cell_angle_alpha                90
_cell_angle_beta                 109.753(6)
_cell_angle_gamma                90
_cell_volume                     2785.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    11921
_cell_measurement_theta_min      1.58
_cell_measurement_theta_max      26.31

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_F_000             1096
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    0.192
_shelx_estimated_absorpt_T_min   0.945
_shelx_estimated_absorpt_T_max   0.996
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.9649
_exptl_absorpt_correction_T_max  0.9959
_exptl_absorpt_process_details   'X-red ver. 1.58 (Stoe & Cie. 2012)'
_exptl_absorpt_special_details   ?

_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_type            STOE
_diffrn_detector_area_resol_mean 6.67
_diffrn_source                   'Genix Mo HF'
_diffrn_source_voltage           50
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_collimation    '1.2, 0.6 mm diameter, multiple pinhole'
_diffrn_ambient_temperature      100
_diffrn_measurement_method       'rotation method'
_diffrn_measurement_details      
; 142 frames, detector distance = 130 mm
;
_diffrn_reflns_number            12393
_diffrn_reflns_av_unetI/netI     0.0927
_diffrn_reflns_av_R_equivalents  0.1167
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.108
_diffrn_reflns_theta_max         25.727
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5233
_reflns_number_gt                3407
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.005(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5233
_refine_ls_number_parameters     286
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1863
_refine_ls_R_factor_gt           0.1503
_refine_ls_wR_factor_ref         0.4536
_refine_ls_wR_factor_gt          0.4056
_refine_ls_goodness_of_fit_ref   1.704
_refine_ls_restrained_S_all      1.704
_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_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
P12 P 0.72125(8) 0.2793(3) 0.63641(9) 0.0474(6) Uani 1 1 d . . . . .
P11 P 0.19139(8) 0.7765(3) 0.63466(9) 0.0484(6) Uani 1 1 d . . . . .
O13 O 0.1895(2) 0.7058(9) 0.5693(2) 0.0535(12) Uani 1 1 d . . . . .
O11 O 0.2107(2) 1.0183(8) 0.6470(3) 0.0594(14) Uani 1 1 d . . . . .
O14 O 0.7149(2) 0.0499(8) 0.6580(3) 0.0566(13) Uani 1 1 d . . . . .
O12 O 0.1206(2) 0.7177(8) 0.6354(3) 0.0611(15) Uani 1 1 d . . . . .
O16 O 0.7919(2) 0.3384(9) 0.6353(3) 0.0626(14) Uani 1 1 d . . . . .
O15 O 0.6774(3) 0.3329(11) 0.5698(2) 0.0664(15) Uani 1 1 d . . . . .
C11 C 0.3111(3) 0.5687(11) 0.6856(3) 0.0436(14) Uani 1 1 d . . . . .
C110 C 0.6348(3) 0.5084(11) 0.6790(3) 0.0423(14) Uani 1 1 d . . . . .
C13 C 0.3943(3) 0.3579(12) 0.6615(3) 0.0459(15) Uani 1 1 d . . . . .
H13 H 0.4077 0.2208 0.6473 0.055 Uiso 1 1 calc R U . . .
C113 C 0.2428(3) 0.5792(11) 0.6881(3) 0.0461(15) Uani 1 1 d . . . . .
H11A H 0.2451 0.6235 0.7300 0.055 Uiso 1 1 calc R U . . .
H11B H 0.2231 0.4250 0.6798 0.055 Uiso 1 1 calc R U . . .
C19 C 0.6065(3) 0.3235(11) 0.6992(3) 0.0442(14) Uani 1 1 d . . . . .
H19 H 0.6314 0.1892 0.7137 0.053 Uiso 1 1 calc R U . . .
C12 C 0.3321(3) 0.3717(11) 0.6642(3) 0.0458(15) Uani 1 1 d . . . . .
H12 H 0.3033 0.2452 0.6514 0.055 Uiso 1 1 calc R U . . .
C16 C 0.3540(3) 0.7518(11) 0.7042(3) 0.0456(15) Uani 1 1 d . . . . .
H16 H 0.3406 0.8869 0.7193 0.055 Uiso 1 1 calc R U . . .
C14 C 0.4378(3) 0.5415(11) 0.6790(3) 0.0433(14) Uani 1 1 d . . . . .
C112 C 0.5334(3) 0.7094(11) 0.6572(3) 0.0458(15) Uani 1 1 d . . . . .
H112 H 0.5086 0.8437 0.6425 0.055 Uiso 1 1 calc R U . . .
C17 C 0.5046(3) 0.5265(11) 0.6780(3) 0.0449(15) Uani 1 1 d . . . . .
C120 C 0.7051(3) 0.5024(12) 0.6817(3) 0.0489(16) Uani 1 1 d . . . . .
H12A H 0.7336 0.4819 0.7249 0.059 Uiso 1 1 calc R U . . .
H12B H 0.7162 0.6511 0.6674 0.059 Uiso 1 1 calc R U . . .
C18 C 0.5436(3) 0.3331(11) 0.6984(3) 0.0452(15) Uani 1 1 d . . . . .
H18 H 0.5259 0.2043 0.7121 0.054 Uiso 1 1 calc R U . . .
C111 C 0.5973(3) 0.6997(11) 0.6575(3) 0.0474(15) Uani 1 1 d . . . . .
H111 H 0.6151 0.8259 0.6427 0.057 Uiso 1 1 calc R U . . .
C15 C 0.4157(3) 0.7391(11) 0.7008(3) 0.0453(15) Uani 1 1 d . . . . .
H15 H 0.4441 0.8667 0.7135 0.054 Uiso 1 1 calc R U . . .
C114 C 0.0807(3) 0.8734(12) 0.6549(3) 0.0512(16) Uani 1 1 d . . . . .
H114 H 0.1084 0.9580 0.6921 0.061 Uiso 1 1 calc R U . . .
C124 C 0.8465(5) 0.1921(18) 0.6614(4) 0.081(2) Uani 1 1 d . . . . .
H124 H 0.8446 0.1241 0.7003 0.097 Uiso 1 1 calc R U . . .
C117 C 0.1687(4) 0.4730(14) 0.5444(4) 0.0591(18) Uani 1 1 d . . . . .
H117 H 0.1723 0.3657 0.5789 0.071 Uiso 1 1 calc R U . . .
C126 C 0.9051(5) 0.344(2) 0.6751(6) 0.1006(16) Uani 1 1 d . . . . .
H12C H 0.9076 0.4061 0.6367 0.151 Uiso 1 1 calc R U . . .
H12D H 0.9445 0.2548 0.6957 0.151 Uiso 1 1 calc R U . . .
H12E H 0.9016 0.4695 0.7017 0.151 Uiso 1 1 calc R U . . .
C116 C 0.0323(4) 0.7317(16) 0.6712(4) 0.067(2) Uani 1 1 d . . . . .
H11C H 0.0042 0.6524 0.6345 0.101 Uiso 1 1 calc R U . . .
H11D H 0.0056 0.8304 0.6874 0.101 Uiso 1 1 calc R U . . .
H11E H 0.0551 0.6190 0.7023 0.101 Uiso 1 1 calc R U . . .
C118 C 0.1007(4) 0.4816(19) 0.5031(4) 0.077(3) Uani 1 1 d . . . . .
H11F H 0.0725 0.5259 0.5264 0.116 Uiso 1 1 calc R U . . .
H11G H 0.0876 0.3306 0.4847 0.116 Uiso 1 1 calc R U . . .
H11H H 0.0965 0.5941 0.4707 0.116 Uiso 1 1 calc R U . . .
C125 C 0.8451(6) 0.006(2) 0.6169(6) 0.1006(16) Uani 1 1 d . . . . .
H12F H 0.8010 -0.0560 0.6000 0.151 Uiso 1 1 calc R U . . .
H12G H 0.8753 -0.1154 0.6378 0.151 Uiso 1 1 calc R U . . .
H12H H 0.8583 0.0684 0.5836 0.151 Uiso 1 1 calc R U . . .
C119 C 0.2158(5) 0.3976(19) 0.5116(4) 0.082(3) Uani 1 1 d . . . . .
H11I H 0.2074 0.4865 0.4739 0.123 Uiso 1 1 calc R U . . .
H11J H 0.2095 0.2347 0.5015 0.123 Uiso 1 1 calc R U . . .
H11K H 0.2608 0.4236 0.5386 0.123 Uiso 1 1 calc R U . . .
C115 C 0.0498(6) 1.041(2) 0.6043(6) 0.1006(16) Uani 1 1 d . . . . .
H11L H 0.0810 1.1617 0.6048 0.151 Uiso 1 1 calc R U . . .
H11M H 0.0113 1.1085 0.6102 0.151 Uiso 1 1 calc R U . . .
H11N H 0.0368 0.9613 0.5647 0.151 Uiso 1 1 calc R U . . .
C121 C 0.6359(5) 0.1572(19) 0.5274(4) 0.081(2) Uani 1 1 d . . . . .
H121 H 0.6516 0.0116 0.5502 0.097 Uiso 1 1 calc R U . . .
C123 C 0.6566(6) 0.133(2) 0.4748(6) 0.1006(16) Uani 1 1 d . . . . .
H12I H 0.6397 -0.0106 0.4537 0.151 Uiso 1 1 calc R U . . .
H12J H 0.7043 0.1320 0.4883 0.151 Uiso 1 1 calc R U . . .
H12K H 0.6399 0.2616 0.4468 0.151 Uiso 1 1 calc R U . . .
C122 C 0.5724(5) 0.145(2) 0.5154(6) 0.1006(16) Uani 1 1 d . . . . .
H12L H 0.5542 0.0240 0.4852 0.151 Uiso 1 1 calc R U . . .
H12M H 0.5524 0.2916 0.4989 0.151 Uiso 1 1 calc R U . . .
H12N H 0.5635 0.1104 0.5532 0.151 Uiso 1 1 calc R 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
P12 O14 1.455(5) . ?
P12 O15 1.550(6) . ?
P12 O16 1.589(5) . ?
P12 C120 1.783(7) . ?
P11 O11 1.476(5) . ?
P11 O13 1.558(6) . ?
P11 O12 1.588(5) . ?
P11 C113 1.785(7) . ?
O13 C117 1.489(9) . ?
O12 C114 1.435(8) . ?
O16 C124 1.425(12) . ?
O15 C121 1.497(11) . ?
C11 C12 1.391(9) . ?
C11 C16 1.392(9) . ?
C11 C113 1.513(8) . ?
C110 C111 1.377(9) . ?
C110 C19 1.403(9) . ?
C110 C120 1.515(8) . ?
C13 C12 1.383(9) . ?
C13 C14 1.401(9) . ?
C13 H13 0.9500 . ?
C113 H11A 0.9900 . ?
C113 H11B 0.9900 . ?
C19 C18 1.366(8) . ?
C19 H19 0.9500 . ?
C12 H12 0.9500 . ?
C16 C15 1.377(9) . ?
C16 H16 0.9500 . ?
C14 C15 1.410(9) . ?
C14 C17 1.469(9) . ?
C112 C111 1.392(9) . ?
C112 C17 1.407(9) . ?
C112 H112 0.9500 . ?
C17 C18 1.398(9) . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C18 H18 0.9500 . ?
C111 H111 0.9500 . ?
C15 H15 0.9500 . ?
C114 C116 1.489(10) . ?
C114 C115 1.503(14) . ?
C114 H114 1.0000 . ?
C124 C125 1.492(16) . ?
C124 C126 1.500(14) . ?
C124 H124 1.0000 . ?
C117 C118 1.470(12) . ?
C117 C119 1.535(12) . ?
C117 H117 1.0000 . ?
C126 H12C 0.9800 . ?
C126 H12D 0.9800 . ?
C126 H12E 0.9800 . ?
C116 H11C 0.9800 . ?
C116 H11D 0.9800 . ?
C116 H11E 0.9800 . ?
C118 H11F 0.9800 . ?
C118 H11G 0.9800 . ?
C118 H11H 0.9800 . ?
C125 H12F 0.9800 . ?
C125 H12G 0.9800 . ?
C125 H12H 0.9800 . ?
C119 H11I 0.9800 . ?
C119 H11J 0.9800 . ?
C119 H11K 0.9800 . ?
C115 H11L 0.9800 . ?
C115 H11M 0.9800 . ?
C115 H11N 0.9800 . ?
C121 C122 1.319(13) . ?
C121 C123 1.444(15) . ?
C121 H121 1.0000 . ?
C123 H12I 0.9800 . ?
C123 H12J 0.9800 . ?
C123 H12K 0.9800 . ?
C122 H12L 0.9800 . ?
C122 H12M 0.9800 . ?
C122 H12N 0.9800 . ?

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 P12 O15 115.5(3) . . ?
O14 P12 O16 114.3(3) . . ?
O15 P12 O16 102.4(3) . . ?
O14 P12 C120 114.3(3) . . ?
O15 P12 C120 105.1(3) . . ?
O16 P12 C120 103.7(3) . . ?
O11 P11 O13 110.8(3) . . ?
O11 P11 O12 114.8(3) . . ?
O13 P11 O12 104.3(3) . . ?
O11 P11 C113 114.4(3) . . ?
O13 P11 C113 107.9(3) . . ?
O12 P11 C113 103.8(3) . . ?
C117 O13 P11 121.6(4) . . ?
C114 O12 P11 124.2(4) . . ?
C124 O16 P12 122.7(5) . . ?
C121 O15 P12 123.2(6) . . ?
C12 C11 C16 118.6(6) . . ?
C12 C11 C113 119.7(6) . . ?
C16 C11 C113 121.7(6) . . ?
C111 C110 C19 118.2(6) . . ?
C111 C110 C120 120.3(6) . . ?
C19 C110 C120 121.5(6) . . ?
C12 C13 C14 121.5(6) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 H13 119.3 . . ?
C11 C113 P11 113.3(4) . . ?
C11 C113 H11A 108.9 . . ?
P11 C113 H11A 108.9 . . ?
C11 C113 H11B 108.9 . . ?
P11 C113 H11B 108.9 . . ?
H11A C113 H11B 107.7 . . ?
C18 C19 C110 121.2(6) . . ?
C18 C19 H19 119.4 . . ?
C110 C19 H19 119.4 . . ?
C13 C12 C11 120.7(6) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C15 C16 C11 120.7(6) . . ?
C15 C16 H16 119.7 . . ?
C11 C16 H16 119.7 . . ?
C13 C14 C15 116.9(6) . . ?
C13 C14 C17 122.0(6) . . ?
C15 C14 C17 121.1(6) . . ?
C111 C112 C17 122.0(6) . . ?
C111 C112 H112 119.0 . . ?
C17 C112 H112 119.0 . . ?
C18 C17 C112 116.0(6) . . ?
C18 C17 C14 122.5(6) . . ?
C112 C17 C14 121.5(6) . . ?
C110 C120 P12 113.0(5) . . ?
C110 C120 H12A 109.0 . . ?
P12 C120 H12A 109.0 . . ?
C110 C120 H12B 109.0 . . ?
P12 C120 H12B 109.0 . . ?
H12A C120 H12B 107.8 . . ?
C19 C18 C17 122.1(6) . . ?
C19 C18 H18 118.9 . . ?
C17 C18 H18 118.9 . . ?
C110 C111 C112 120.4(6) . . ?
C110 C111 H111 119.8 . . ?
C112 C111 H111 119.8 . . ?
C16 C15 C14 121.6(6) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
O12 C114 C116 106.6(6) . . ?
O12 C114 C115 109.1(7) . . ?
C116 C114 C115 112.9(7) . . ?
O12 C114 H114 109.4 . . ?
C116 C114 H114 109.4 . . ?
C115 C114 H114 109.4 . . ?
O16 C124 C125 109.0(8) . . ?
O16 C124 C126 105.4(8) . . ?
C125 C124 C126 113.1(10) . . ?
O16 C124 H124 109.7 . . ?
C125 C124 H124 109.7 . . ?
C126 C124 H124 109.7 . . ?
C118 C117 O13 109.3(7) . . ?
C118 C117 C119 112.7(7) . . ?
O13 C117 C119 106.7(7) . . ?
C118 C117 H117 109.4 . . ?
O13 C117 H117 109.4 . . ?
C119 C117 H117 109.4 . . ?
C124 C126 H12C 109.5 . . ?
C124 C126 H12D 109.5 . . ?
H12C C126 H12D 109.5 . . ?
C124 C126 H12E 109.5 . . ?
H12C C126 H12E 109.5 . . ?
H12D C126 H12E 109.5 . . ?
C114 C116 H11C 109.5 . . ?
C114 C116 H11D 109.5 . . ?
H11C C116 H11D 109.5 . . ?
C114 C116 H11E 109.5 . . ?
H11C C116 H11E 109.5 . . ?
H11D C116 H11E 109.5 . . ?
C117 C118 H11F 109.5 . . ?
C117 C118 H11G 109.5 . . ?
H11F C118 H11G 109.5 . . ?
C117 C118 H11H 109.5 . . ?
H11F C118 H11H 109.5 . . ?
H11G C118 H11H 109.5 . . ?
C124 C125 H12F 109.5 . . ?
C124 C125 H12G 109.5 . . ?
H12F C125 H12G 109.5 . . ?
C124 C125 H12H 109.5 . . ?
H12F C125 H12H 109.5 . . ?
H12G C125 H12H 109.5 . . ?
C117 C119 H11I 109.5 . . ?
C117 C119 H11J 109.5 . . ?
H11I C119 H11J 109.5 . . ?
C117 C119 H11K 109.5 . . ?
H11I C119 H11K 109.5 . . ?
H11J C119 H11K 109.5 . . ?
C114 C115 H11L 109.5 . . ?
C114 C115 H11M 109.5 . . ?
H11L C115 H11M 109.5 . . ?
C114 C115 H11N 109.5 . . ?
H11L C115 H11N 109.5 . . ?
H11M C115 H11N 109.5 . . ?
C122 C121 C123 115.0(10) . . ?
C122 C121 O15 122.4(10) . . ?
C123 C121 O15 109.1(8) . . ?
C122 C121 H121 102.4 . . ?
C123 C121 H121 102.4 . . ?
O15 C121 H121 102.4 . . ?
C121 C123 H12I 109.5 . . ?
C121 C123 H12J 109.5 . . ?
H12I C123 H12J 109.5 . . ?
C121 C123 H12K 109.5 . . ?
H12I C123 H12K 109.5 . . ?
H12J C123 H12K 109.5 . . ?
C121 C122 H12L 109.5 . . ?
C121 C122 H12M 109.5 . . ?
H12L C122 H12M 109.5 . . ?
C121 C122 H12N 109.5 . . ?
H12L C122 H12N 109.5 . . ?
H12M C122 H12N 109.5 . . ?

_refine_diff_density_max         1.494
_refine_diff_density_min         -1.629
_refine_diff_density_rms         0.153

####################################################################### 
# 
# 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_EuL5
_database_code_depnum_ccdc_archive 'CCDC 1562261'
_audit_update_record             
;
2017-07-14 deposited with the CCDC.
2017-09-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H60 Eu N3 O18 P3'
_chemical_formula_weight         1103.77

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'
Eu Eu -0.1578 3.6682 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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

_cell_length_a                   16.2689(6)
_cell_length_b                   13.2684(7)
_cell_length_c                   22.3097(9)
_cell_angle_alpha                90
_cell_angle_beta                 103.599(3)
_cell_angle_gamma                90
_cell_volume                     4680.8(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    21887
_cell_measurement_theta_min      1.40
_cell_measurement_theta_max      26.35


_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_F_000             2268
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.518
_shelx_estimated_absorpt_T_min   0.659
_shelx_estimated_absorpt_T_max   0.888
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.7627
_exptl_absorpt_correction_T_max  0.8926
_exptl_absorpt_process_details   'X-red ver. 1.58 (Stoe & Cie. 2012)'
_exptl_absorpt_special_details   ?
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_type            STOE
_diffrn_detector_area_resol_mean 6.67
_diffrn_source                   'Genix Mo HF'
_diffrn_source_voltage           50
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_collimation    '1.2, 0.6 mm diameter, multiple pinhole'
_diffrn_ambient_temperature      100
_diffrn_measurement_method       'rotation method'
_diffrn_measurement_details      
; 138 frames, detector distance = 130 mm
;
_diffrn_reflns_number            22264
_diffrn_reflns_av_unetI/netI     0.0379
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.404
_diffrn_reflns_theta_max         25.699
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8816
_reflns_number_gt                6729
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1104P)²+33.7454P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8816
_refine_ls_number_parameters     577
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0590
_refine_ls_wR_factor_ref         0.1940
_refine_ls_wR_factor_gt          0.1604
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_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_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
Eu1 Eu 0.49259(2) 0.23131(3) 0.20023(2) 0.02556(15) Uani 1 1 d . . . . .
N111 N 0.6742(4) 0.2244(5) 0.2382(4) 0.0425(18) Uani 1 1 d . . . . .
N112 N 0.5053(4) 0.1818(5) 0.0760(3) 0.0317(14) Uani 1 1 d . . . . .
N113 N 0.3110(4) 0.2290(5) 0.1770(3) 0.0352(15) Uani 1 1 d . . . . .
O11 O 0.5283(4) 0.2797(4) 0.3033(2) 0.0316(12) Uani 1 1 d . . . . .
O12 O 0.6056(3) 0.3192(4) 0.4121(2) 0.0310(11) Uani 1 1 d . . . . .
O13 O 0.4821(3) 0.4180(4) 0.3668(3) 0.0371(13) Uani 1 1 d . . . . .
O14 O 0.9642(3) 1.0960(4) 0.6845(2) 0.0268(10) Uani 1 1 d . . . . .
O15 O 0.9118(3) 0.9191(4) 0.6640(2) 0.0290(11) Uani 1 1 d . . . . .
O16 O 1.0142(3) 0.9795(4) 0.6091(2) 0.0297(11) Uani 1 1 d . . . . .
O21 O 0.4578(3) 0.0716(4) 0.2279(2) 0.0315(12) Uani 1 1 d . . . . .
O22 O 0.4943(3) -0.1114(4) 0.2420(2) 0.0356(12) Uani 1 1 d . . . . .
O23 O 0.3671(3) -0.0625(4) 0.1636(2) 0.0258(10) Uani 1 1 d . . . . .
O111 O 0.6337(3) 0.2953(4) 0.2064(3) 0.0367(13) Uani 1 1 d . . . . .
O112 O 0.7469(4) 0.2295(5) 0.2604(5) 0.078(3) Uani 1 1 d . . . . .
O113 O 0.6303(3) 0.1506(4) 0.2460(3) 0.0348(12) Uani 1 1 d . . . . .
O114 O 0.5214(3) 0.1194(4) 0.1207(2) 0.0322(11) Uani 1 1 d . . . . .
O115 O 0.5039(4) 0.1572(5) 0.0243(2) 0.0412(14) Uani 1 1 d . . . . .
O116 O 0.4930(3) 0.2700(4) 0.0920(2) 0.0291(11) Uani 1 1 d . . . . .
O117 O 0.3498(3) 0.2166(4) 0.1346(2) 0.0287(11) Uani 1 1 d . . . . .
O118 O 0.2350(4) 0.2204(6) 0.1664(3) 0.0567(19) Uani 1 1 d . . . . .
O119 O 0.3548(4) 0.2494(4) 0.2284(3) 0.0390(13) Uani 1 1 d . . . . .
P11 P 0.55521(12) 0.36028(14) 0.34981(9) 0.0291(4) Uani 1 1 d . . . . .
P12 P 0.94192(11) 1.01608(14) 0.63767(9) 0.0253(4) Uani 1 1 d . . . . .
P21 P 0.42453(11) -0.03113(14) 0.22570(8) 0.0248(4) Uani 1 1 d . . . . .
C11 C 0.6494(5) 0.5403(6) 0.3631(4) 0.0326(16) Uani 1 1 d . . . . .
C12 C 0.7321(5) 0.5614(7) 0.3755(5) 0.046(2) Uani 1 1 d . . . . .
H12 H 0.7689 0.5173 0.3606 0.055 Uiso 1 1 calc R U . . .
C13 C 0.7652(5) 0.6437(6) 0.4086(4) 0.041(2) Uani 1 1 d . . . . .
H13 H 0.8246 0.6542 0.4172 0.049 Uiso 1 1 calc R U . . .
C14 C 0.7164(5) 0.7114(6) 0.4299(3) 0.0285(15) Uani 1 1 d . . . . .
C15 C 0.6320(6) 0.6883(9) 0.4185(6) 0.068(4) Uani 1 1 d . . . . .
H15 H 0.5951 0.7316 0.4338 0.082 Uiso 1 1 calc R U . . .
C16 C 0.5997(6) 0.6049(8) 0.3857(6) 0.064(3) Uani 1 1 d . . . . .
H16 H 0.5408 0.5916 0.3786 0.077 Uiso 1 1 calc R U . . .
C17 C 0.7510(4) 0.8032(5) 0.4631(3) 0.0255(14) Uani 1 1 d . . . . .
C18 C 0.8295(5) 0.8389(5) 0.4607(4) 0.0299(16) Uani 1 1 d . . . . .
H18 H 0.8596 0.8064 0.4344 0.036 Uiso 1 1 calc R U . . .
C19 C 0.8654(4) 0.9189(5) 0.4945(4) 0.0295(16) Uani 1 1 d . . . . .
H19 H 0.9202 0.9406 0.4921 0.035 Uiso 1 1 calc R U . . .
C110 C 0.8233(4) 0.9697(5) 0.5326(3) 0.0240(14) Uani 1 1 d . . . . .
C111 C 0.7433(5) 0.9379(6) 0.5329(4) 0.0329(16) Uani 1 1 d . . . . .
H111 H 0.7114 0.9735 0.5567 0.039 Uiso 1 1 calc R U . . .
C112 C 0.7085(4) 0.8554(6) 0.4996(4) 0.0310(16) Uani 1 1 d . . . . .
H112 H 0.6536 0.8338 0.5017 0.037 Uiso 1 1 calc R U . . .
C21 C 0.3995(4) -0.0339(6) 0.3425(3) 0.0282(15) Uani 1 1 d . . . . .
C22 C 0.4134(5) -0.1135(6) 0.3826(4) 0.0373(18) Uani 1 1 d . . . . .
H22 H 0.3954 -0.1789 0.3679 0.045 Uiso 1 1 calc R U . . .
C23 C 0.4523(5) -0.1009(6) 0.4429(3) 0.0321(16) Uani 1 1 d . . . . .
H23 H 0.4617 -0.1579 0.4694 0.039 Uiso 1 1 calc R U . . .
C24 C 0.4787(4) -0.0067(6) 0.4666(3) 0.0253(15) Uani 1 1 d . . . . .
C25 C 0.4649(4) 0.0721(5) 0.4265(3) 0.0243(14) Uani 1 1 d . . . . .
H25 H 0.4823 0.1377 0.4413 0.029 Uiso 1 1 calc R U . . .
C26 C 0.4264(4) 0.0595(6) 0.3653(3) 0.0276(15) Uani 1 1 d . . . . .
H26 H 0.4184 0.1160 0.3384 0.033 Uiso 1 1 calc R U . . .
C27 C 0.3568(4) -0.0479(6) 0.2758(3) 0.0301(16) Uani 1 1 d . . . . .
H27A H 0.3094 0.0007 0.2645 0.036 Uiso 1 1 calc R U . . .
H27B H 0.3325 -0.1166 0.2699 0.036 Uiso 1 1 calc R U . . .
C28 C 0.5845(5) -0.0874(11) 0.2634(4) 0.067(4) Uani 1 1 d . . . . .
H28 H 0.5835 -0.0144 0.2743 0.080 Uiso 1 1 calc R U . . .
C29 C 0.6194(8) -0.129(2) 0.3164(6) 0.177(13) Uani 1 1 d . . . . .
H29A H 0.5820 -0.1206 0.3447 0.266 Uiso 1 1 calc R U . . .
H29B H 0.6284 -0.2008 0.3104 0.266 Uiso 1 1 calc R U . . .
H29C H 0.6738 -0.0963 0.3339 0.266 Uiso 1 1 calc R U . . .
C113 C 0.6142(5) 0.4530(6) 0.3216(4) 0.0361(18) Uani 1 1 d . . . . .
H11A H 0.6621 0.4188 0.3098 0.043 Uiso 1 1 calc R U . . .
H11B H 0.5777 0.4811 0.2834 0.043 Uiso 1 1 calc R U . . .
C114 C 0.6849(5) 0.2631(6) 0.4174(4) 0.0313(16) Uani 1 1 d . . . . .
H114 H 0.7086 0.2791 0.3810 0.038 Uiso 1 1 calc R U . . .
C115 C 0.7432(7) 0.3030(10) 0.4743(5) 0.071(4) Uani 1 1 d . . . . .
H11C H 0.7509 0.3756 0.4698 0.107 Uiso 1 1 calc R U . . .
H11D H 0.7189 0.2906 0.5099 0.107 Uiso 1 1 calc R U . . .
H11E H 0.7980 0.2690 0.4806 0.107 Uiso 1 1 calc R U . . .
C116 C 0.6677(5) 0.1539(7) 0.4180(5) 0.046(2) Uani 1 1 d . . . . .
H11F H 0.7206 0.1166 0.4216 0.068 Uiso 1 1 calc R U . . .
H11G H 0.6437 0.1379 0.4533 0.068 Uiso 1 1 calc R U . . .
H11H H 0.6275 0.1349 0.3797 0.068 Uiso 1 1 calc R U . . .
C117 C 0.4159(8) 0.3720(10) 0.3900(9) 0.109(7) Uani 1 1 d . . . . .
H117 H 0.4244 0.2974 0.3938 0.131 Uiso 1 1 calc R U . . .
C118 C 0.3368(8) 0.3950(18) 0.3488(9) 0.159(11) Uani 1 1 d . . . . .
H11I H 0.3354 0.3657 0.3082 0.238 Uiso 1 1 calc R U . . .
H11J H 0.2907 0.3667 0.3649 0.238 Uiso 1 1 calc R U . . .
H11K H 0.3302 0.4683 0.3449 0.238 Uiso 1 1 calc R U . . .
C119 C 0.4166(11) 0.413(4) 0.4462(7) 0.33(3) Uani 1 1 d . . . . .
H11L H 0.3717 0.3829 0.4628 0.489 Uiso 1 1 calc R U . . .
H11M H 0.4715 0.4010 0.4746 0.489 Uiso 1 1 calc R U . . .
H11N H 0.4069 0.4863 0.4416 0.489 Uiso 1 1 calc R U . . .
C120 C 0.8628(4) 1.0551(5) 0.5724(3) 0.0262(15) Uani 1 1 d . . . . .
H12A H 0.8182 1.0922 0.5867 0.031 Uiso 1 1 calc R U . . .
H12B H 0.8884 1.1021 0.5475 0.031 Uiso 1 1 calc R U . . .
C121 C 0.8610(10) 0.9142(7) 0.7086(6) 0.079(4) Uani 1 1 d . . . . .
H121 H 0.8381 0.9823 0.7150 0.095 Uiso 1 1 calc R U . . .
C122 C 0.7926(6) 0.8425(10) 0.6882(5) 0.068(3) Uani 1 1 d . . . . .
H12C H 0.7580 0.8393 0.7187 0.102 Uiso 1 1 calc R U . . .
H12D H 0.7574 0.8641 0.6484 0.102 Uiso 1 1 calc R U . . .
H12E H 0.8163 0.7757 0.6838 0.102 Uiso 1 1 calc R U . . .
C123 C 0.9166(15) 0.878(2) 0.7655(7) 0.228(18) Uani 1 1 d . . . . .
H12F H 0.8848 0.8729 0.7977 0.343 Uiso 1 1 calc R U . . .
H12G H 0.9383 0.8109 0.7584 0.343 Uiso 1 1 calc R U . . .
H12H H 0.9640 0.9244 0.7787 0.343 Uiso 1 1 calc R U . . .
C124 C 1.0827(5) 0.9135(6) 0.6414(4) 0.0331(17) Uani 1 1 d . . . . .
H124 H 1.0659 0.8783 0.6764 0.040 Uiso 1 1 calc R U . . .
C125 C 1.0956(5) 0.8387(6) 0.5945(4) 0.0374(18) Uani 1 1 d . . . . .
H12I H 1.1410 0.7921 0.6134 0.056 Uiso 1 1 calc R U . . .
H12J H 1.0431 0.8008 0.5791 0.056 Uiso 1 1 calc R U . . .
H12K H 1.1110 0.8741 0.5602 0.056 Uiso 1 1 calc R U . . .
C126 C 1.1598(5) 0.9766(6) 0.6652(4) 0.0368(18) Uani 1 1 d . . . . .
H12L H 1.2062 0.9335 0.6869 0.055 Uiso 1 1 calc R U . . .
H12M H 1.1761 1.0099 0.6305 0.055 Uiso 1 1 calc R U . . .
H12N H 1.1475 1.0276 0.6936 0.055 Uiso 1 1 calc R U . . .
C210 C 0.6232(6) -0.0857(7) 0.2102(4) 0.047(2) Uani 1 1 d . . . . .
H21A H 0.5856 -0.0506 0.1758 0.071 Uiso 1 1 calc R U . . .
H21B H 0.6776 -0.0504 0.2214 0.071 Uiso 1 1 calc R U . . .
H21C H 0.6323 -0.1550 0.1979 0.071 Uiso 1 1 calc R U . . .
C211 C 0.3996(4) -0.0737(5) 0.1078(3) 0.0245(14) Uani 1 1 d . . . . .
H211 H 0.4590 -0.0479 0.1161 0.029 Uiso 1 1 calc R U . . .
C212 C 0.3454(5) -0.0127(6) 0.0583(4) 0.0369(18) Uani 1 1 d . . . . .
H21D H 0.3657 -0.0189 0.0205 0.055 Uiso 1 1 calc R U . . .
H21E H 0.2869 -0.0371 0.0507 0.055 Uiso 1 1 calc R U . . .
H21F H 0.3475 0.0581 0.0711 0.055 Uiso 1 1 calc R U . . .
C213 C 0.3989(5) -0.1832(6) 0.0934(4) 0.0360(18) Uani 1 1 d . . . . .
H21G H 0.4203 -0.1937 0.0563 0.054 Uiso 1 1 calc R U . . .
H21H H 0.4350 -0.2193 0.1282 0.054 Uiso 1 1 calc R U . . .
H21I H 0.3409 -0.2090 0.0863 0.054 Uiso 1 1 calc R 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
Eu1 O21 2.313(5) . ?
Eu1 O11 2.326(5) . ?
Eu1 O14 2.347(5) 4_575 ?
Eu1 O111 2.421(5) . ?
Eu1 O114 2.442(5) . ?
Eu1 O117 2.446(5) . ?
Eu1 O116 2.470(5) . ?
Eu1 O113 2.476(5) . ?
Eu1 O119 2.479(6) . ?
Eu1 N111 2.877(7) . ?
Eu1 N113 2.876(7) . ?
Eu1 N112 2.903(7) . ?
N111 O112 1.173(9) . ?
N111 O113 1.248(8) . ?
N111 O111 1.265(9) . ?
N112 O115 1.193(8) . ?
N112 O116 1.253(8) . ?
N112 O114 1.276(8) . ?
N113 O118 1.210(9) . ?
N113 O119 1.230(9) . ?
N113 O117 1.265(8) . ?
O11 P11 1.482(5) . ?
O12 C114 1.470(9) . ?
O12 P11 1.537(5) . ?
O13 C117 1.436(11) . ?
O13 P11 1.536(5) . ?
O14 P12 1.473(5) . ?
O14 Eu1 2.347(5) 4_676 ?
O15 C121 1.437(10) . ?
O15 P12 1.542(5) . ?
O16 C124 1.467(8) . ?
O16 P12 1.541(5) . ?
O21 P21 1.464(5) . ?
O22 C28 1.467(11) . ?
O22 P21 1.536(5) . ?
O23 C211 1.470(8) . ?
O23 P21 1.536(5) . ?
P11 C113 1.764(8) . ?
P12 C120 1.779(7) . ?
P21 C27 1.759(7) . ?
C11 C12 1.337(11) . ?
C11 C16 1.355(12) . ?
C11 C113 1.509(10) . ?
C12 C13 1.357(12) . ?
C12 H12 0.9500 . ?
C13 C14 1.356(11) . ?
C13 H13 0.9500 . ?
C14 C15 1.372(11) . ?
C14 C17 1.467(10) . ?
C15 C16 1.362(13) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.375(10) . ?
C17 C112 1.373(10) . ?
C18 C19 1.353(11) . ?
C18 H18 0.9500 . ?
C19 C110 1.385(10) . ?
C19 H19 0.9500 . ?
C110 C111 1.371(10) . ?
C110 C120 1.489(10) . ?
C111 C112 1.368(11) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C21 C26 1.371(10) . ?
C21 C22 1.368(11) . ?
C21 C27 1.499(10) . ?
C22 C23 1.355(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.386(10) . ?
C23 H23 0.9500 . ?
C24 C25 1.360(10) . ?
C24 C24 1.500(13) 3_656 ?
C25 C26 1.372(10) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.306(18) . ?
C28 C210 1.469(13) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C113 H11A 0.9900 . ?
C113 H11B 0.9900 . ?
C114 C116 1.476(12) . ?
C114 C115 1.492(11) . ?
C114 H114 1.0000 . ?
C115 H11C 0.9800 . ?
C115 H11D 0.9800 . ?
C115 H11E 0.9800 . ?
C116 H11F 0.9800 . ?
C116 H11G 0.9800 . ?
C116 H11H 0.9800 . ?
C117 C119 1.37(3) . ?
C117 C118 1.43(2) . ?
C117 H117 1.0000 . ?
C118 H11I 0.9800 . ?
C118 H11J 0.9800 . ?
C118 H11K 0.9800 . ?
C119 H11L 0.9800 . ?
C119 H11M 0.9800 . ?
C119 H11N 0.9800 . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C121 C122 1.453(17) . ?
C121 C123 1.46(3) . ?
C121 H121 1.0000 . ?
C122 H12C 0.9800 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C124 C125 1.493(11) . ?
C124 C126 1.497(11) . ?
C124 H124 1.0000 . ?
C125 H12I 0.9800 . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C126 H12L 0.9800 . ?
C126 H12M 0.9800 . ?
C126 H12N 0.9800 . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 C213 1.488(10) . ?
C211 C212 1.481(10) . ?
C211 H211 1.0000 . ?
C212 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C213 H21G 0.9800 . ?
C213 H21H 0.9800 . ?
C213 H21I 0.9800 . ?

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
O21 Eu1 O11 90.54(18) . . ?
O21 Eu1 O14 151.87(18) . 4_575 ?
O11 Eu1 O14 82.70(18) . 4_575 ?
O21 Eu1 O111 126.44(18) . . ?
O11 Eu1 O111 80.4(2) . . ?
O14 Eu1 O111 79.44(17) 4_575 . ?
O21 Eu1 O114 74.76(18) . . ?
O11 Eu1 O114 147.14(19) . . ?
O14 Eu1 O114 123.35(17) 4_575 . ?
O111 Eu1 O114 85.05(19) . . ?
O21 Eu1 O117 80.18(18) . . ?
O11 Eu1 O117 126.57(18) . . ?
O14 Eu1 O117 82.08(17) 4_575 . ?
O111 Eu1 O117 144.74(18) . . ?
O114 Eu1 O117 80.44(17) . . ?
O21 Eu1 O116 120.51(17) . . ?
O11 Eu1 O116 148.38(18) . . ?
O14 Eu1 O116 72.35(16) 4_575 . ?
O111 Eu1 O116 76.26(19) . . ?
O114 Eu1 O116 51.03(16) . . ?
O117 Eu1 O116 69.61(17) . . ?
O21 Eu1 O113 75.42(18) . . ?
O11 Eu1 O113 73.76(19) . . ?
O14 Eu1 O113 127.65(17) 4_575 . ?
O111 Eu1 O113 51.27(17) . . ?
O114 Eu1 O113 74.14(18) . . ?
O117 Eu1 O113 148.48(16) . . ?
O116 Eu1 O113 106.41(18) . . ?
O21 Eu1 O119 74.3(2) . . ?
O11 Eu1 O119 75.71(19) . . ?
O14 Eu1 O119 77.61(18) 4_575 . ?
O111 Eu1 O119 148.61(19) . . ?
O114 Eu1 O119 125.64(18) . . ?
O117 Eu1 O119 51.04(18) . . ?
O116 Eu1 O119 116.02(19) . . ?
O113 Eu1 O119 136.21(19) . . ?
O21 Eu1 N111 101.00(19) . . ?
O11 Eu1 N111 73.6(2) . . ?
O14 Eu1 N111 103.14(18) 4_575 . ?
O111 Eu1 N111 25.85(18) . . ?
O114 Eu1 N111 80.5(2) . . ?
O117 Eu1 N111 159.9(2) . . ?
O116 Eu1 N111 93.2(2) . . ?
O113 Eu1 N111 25.58(18) . . ?
O119 Eu1 N111 148.9(2) . . ?
O21 Eu1 N113 74.54(19) . . ?
O11 Eu1 N113 100.9(2) . . ?
O14 Eu1 N113 79.96(17) 4_575 . ?
O111 Eu1 N113 159.02(17) . . ?
O114 Eu1 N113 103.11(19) . . ?
O117 Eu1 N113 25.91(19) . . ?
O116 Eu1 N113 93.71(19) . . ?
O113 Eu1 N113 149.42(17) . . ?
O119 Eu1 N113 25.18(19) . . ?
N111 Eu1 N113 173.0(2) . . ?
O21 Eu1 N112 97.12(17) . . ?
O11 Eu1 N112 161.63(18) . . ?
O14 Eu1 N112 97.70(17) 4_575 . ?
O111 Eu1 N112 81.62(19) . . ?
O114 Eu1 N112 25.82(17) . . ?
O117 Eu1 N112 71.41(16) . . ?
O116 Eu1 N112 25.37(17) . . ?
O113 Eu1 N112 91.99(18) . . ?
O119 Eu1 N112 122.43(18) . . ?
N111 Eu1 N112 88.6(2) . . ?
N113 Eu1 N112 97.25(19) . . ?
O112 N111 O113 122.6(7) . . ?
O112 N111 O111 122.3(7) . . ?
O113 N111 O111 115.0(6) . . ?
O112 N111 Eu1 170.8(8) . . ?
O113 N111 Eu1 59.0(4) . . ?
O111 N111 Eu1 56.5(4) . . ?
O115 N112 O116 124.2(6) . . ?
O115 N112 O114 122.2(6) . . ?
O116 N112 O114 113.6(6) . . ?
O115 N112 Eu1 174.2(5) . . ?
O116 N112 Eu1 57.6(3) . . ?
O114 N112 Eu1 56.5(3) . . ?
O118 N113 O119 122.9(7) . . ?
O118 N113 O117 120.6(8) . . ?
O119 N113 O117 116.5(6) . . ?
O118 N113 Eu1 175.1(6) . . ?
O119 N113 Eu1 59.0(4) . . ?
O117 N113 Eu1 57.7(4) . . ?
P11 O11 Eu1 148.8(3) . . ?
C114 O12 P11 121.6(5) . . ?
C117 O13 P11 124.5(6) . . ?
P12 O14 Eu1 144.7(3) . 4_676 ?
C121 O15 P12 126.0(5) . . ?
C124 O16 P12 123.4(5) . . ?
P21 O21 Eu1 162.9(3) . . ?
C28 O22 P21 123.6(7) . . ?
C211 O23 P21 121.9(4) . . ?
N111 O111 Eu1 97.6(4) . . ?
N111 O113 Eu1 95.4(4) . . ?
N112 O114 Eu1 97.7(4) . . ?
N112 O116 Eu1 97.0(4) . . ?
N113 O117 Eu1 96.4(4) . . ?
N113 O119 Eu1 95.8(4) . . ?
O11 P11 O13 114.5(3) . . ?
O11 P11 O12 112.6(3) . . ?
O13 P11 O12 103.4(3) . . ?
O11 P11 C113 110.4(3) . . ?
O13 P11 C113 105.0(3) . . ?
O12 P11 C113 110.5(4) . . ?
O14 P12 O16 115.8(3) . . ?
O14 P12 O15 112.2(3) . . ?
O16 P12 O15 103.7(3) . . ?
O14 P12 C120 112.4(3) . . ?
O16 P12 C120 103.2(3) . . ?
O15 P12 C120 108.8(3) . . ?
O21 P21 O22 113.0(3) . . ?
O21 P21 O23 115.1(3) . . ?
O22 P21 O23 106.5(3) . . ?
O21 P21 C27 112.3(3) . . ?
O22 P21 C27 107.5(4) . . ?
O23 P21 C27 101.5(3) . . ?
C12 C11 C16 116.8(7) . . ?
C12 C11 C113 120.4(7) . . ?
C16 C11 C113 122.6(7) . . ?
C11 C12 C13 122.2(8) . . ?
C11 C12 H12 118.9 . . ?
C13 C12 H12 118.9 . . ?
C14 C13 C12 122.3(7) . . ?
C14 C13 H13 118.9 . . ?
C12 C13 H13 118.9 . . ?
C13 C14 C15 115.5(7) . . ?
C13 C14 C17 122.7(7) . . ?
C15 C14 C17 121.8(7) . . ?
C14 C15 C16 121.6(8) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
C11 C16 C15 121.7(8) . . ?
C11 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C18 C17 C112 116.8(7) . . ?
C18 C17 C14 121.1(6) . . ?
C112 C17 C14 122.1(7) . . ?
C19 C18 C17 122.1(7) . . ?
C19 C18 H18 118.9 . . ?
C17 C18 H18 118.9 . . ?
C18 C19 C110 120.9(6) . . ?
C18 C19 H19 119.6 . . ?
C110 C19 H19 119.6 . . ?
C111 C110 C19 117.4(7) . . ?
C111 C110 C120 120.6(6) . . ?
C19 C110 C120 122.0(6) . . ?
C112 C111 C110 121.0(7) . . ?
C112 C111 H111 119.5 . . ?
C110 C111 H111 119.5 . . ?
C111 C112 C17 121.7(7) . . ?
C111 C112 H112 119.2 . . ?
C17 C112 H112 119.2 . . ?
C26 C21 C22 117.7(7) . . ?
C26 C21 C27 120.9(7) . . ?
C22 C21 C27 121.3(7) . . ?
C23 C22 C21 121.4(7) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C22 C23 C24 121.4(7) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C25 C24 C23 117.0(7) . . ?
C25 C24 C24 121.9(8) . 3_656 ?
C23 C24 C24 121.1(8) . 3_656 ?
C24 C25 C26 121.7(7) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 H25 119.1 . . ?
C21 C26 C25 120.7(7) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C21 C27 P21 113.7(5) . . ?
C21 C27 H27A 108.8 . . ?
P21 C27 H27A 108.8 . . ?
C21 C27 H27B 108.8 . . ?
P21 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
C29 C28 C210 124.1(11) . . ?
C29 C28 O22 113.0(10) . . ?
C210 C28 O22 109.0(8) . . ?
C29 C28 H28 102.5 . . ?
C210 C28 H28 102.5 . . ?
O22 C28 H28 102.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C11 C113 P11 118.4(6) . . ?
C11 C113 H11A 107.7 . . ?
P11 C113 H11A 107.7 . . ?
C11 C113 H11B 107.7 . . ?
P11 C113 H11B 107.7 . . ?
H11A C113 H11B 107.1 . . ?
C116 C114 O12 109.5(6) . . ?
C116 C114 C115 115.1(8) . . ?
O12 C114 C115 105.0(7) . . ?
C116 C114 H114 109.0 . . ?
O12 C114 H114 109.0 . . ?
C115 C114 H114 109.0 . . ?
C114 C115 H11C 109.5 . . ?
C114 C115 H11D 109.5 . . ?
H11C C115 H11D 109.5 . . ?
C114 C115 H11E 109.5 . . ?
H11C C115 H11E 109.5 . . ?
H11D C115 H11E 109.5 . . ?
C114 C116 H11F 109.5 . . ?
C114 C116 H11G 109.5 . . ?
H11F C116 H11G 109.5 . . ?
C114 C116 H11H 109.5 . . ?
H11F C116 H11H 109.5 . . ?
H11G C116 H11H 109.5 . . ?
C119 C117 O13 108.3(18) . . ?
C119 C117 C118 108.5(14) . . ?
O13 C117 C118 108.4(12) . . ?
C119 C117 H117 110.5 . . ?
O13 C117 H117 110.5 . . ?
C118 C117 H117 110.5 . . ?
C117 C118 H11I 109.5 . . ?
C117 C118 H11J 109.5 . . ?
H11I C118 H11J 109.5 . . ?
C117 C118 H11K 109.5 . . ?
H11I C118 H11K 109.5 . . ?
H11J C118 H11K 109.5 . . ?
C117 C119 H11L 109.5 . . ?
C117 C119 H11M 109.5 . . ?
H11L C119 H11M 109.5 . . ?
C117 C119 H11N 109.5 . . ?
H11L C119 H11N 109.5 . . ?
H11M C119 H11N 109.5 . . ?
C110 C120 P12 113.3(5) . . ?
C110 C120 H12A 108.9 . . ?
P12 C120 H12A 108.9 . . ?
C110 C120 H12B 108.9 . . ?
P12 C120 H12B 108.9 . . ?
H12A C120 H12B 107.7 . . ?
O15 C121 C122 109.6(9) . . ?
O15 C121 C123 106.2(13) . . ?
C122 C121 C123 109.1(10) . . ?
O15 C121 H121 110.6 . . ?
C122 C121 H121 110.6 . . ?
C123 C121 H121 110.6 . . ?
C121 C122 H12C 109.5 . . ?
C121 C122 H12D 109.5 . . ?
H12C C122 H12D 109.5 . . ?
C121 C122 H12E 109.5 . . ?
H12C C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
C121 C123 H12G 109.5 . . ?
H12F C123 H12G 109.5 . . ?
C121 C123 H12H 109.5 . . ?
H12F C123 H12H 109.5 . . ?
H12G C123 H12H 109.5 . . ?
O16 C124 C125 105.5(6) . . ?
O16 C124 C126 108.5(6) . . ?
C125 C124 C126 112.0(6) . . ?
O16 C124 H124 110.2 . . ?
C125 C124 H124 110.2 . . ?
C126 C124 H124 110.2 . . ?
C124 C125 H12I 109.5 . . ?
C124 C125 H12J 109.5 . . ?
H12I C125 H12J 109.5 . . ?
C124 C125 H12K 109.5 . . ?
H12I C125 H12K 109.5 . . ?
H12J C125 H12K 109.5 . . ?
C124 C126 H12L 109.5 . . ?
C124 C126 H12M 109.5 . . ?
H12L C126 H12M 109.5 . . ?
C124 C126 H12N 109.5 . . ?
H12L C126 H12N 109.5 . . ?
H12M C126 H12N 109.5 . . ?
C28 C210 H21A 109.5 . . ?
C28 C210 H21B 109.5 . . ?
H21A C210 H21B 109.5 . . ?
C28 C210 H21C 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
O23 C211 C213 107.1(6) . . ?
O23 C211 C212 107.8(6) . . ?
C213 C211 C212 113.6(6) . . ?
O23 C211 H211 109.4 . . ?
C213 C211 H211 109.4 . . ?
C212 C211 H211 109.4 . . ?
C211 C212 H21D 109.5 . . ?
C211 C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
C211 C212 H21F 109.5 . . ?
H21D C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C211 C213 H21G 109.5 . . ?
C211 C213 H21H 109.5 . . ?
H21G C213 H21H 109.5 . . ?
C211 C213 H21I 109.5 . . ?
H21G C213 H21I 109.5 . . ?
H21H C213 H21I 109.5 . . ?

_refine_diff_density_max         1.944
_refine_diff_density_min         -3.336
_refine_diff_density_rms         0.192

####################################################################### 
# 
# 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_YL5
_database_code_depnum_ccdc_archive 'CCDC 1562264'
_audit_update_record             
;
2017-07-14 deposited with the CCDC.
2017-09-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H60 N3 O18 P3 Y'
_chemical_formula_weight         1040.72

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'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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

_cell_length_a                   16.4785(6)
_cell_length_b                   13.3577(3)
_cell_length_c                   22.5110(6)
_cell_angle_alpha                90
_cell_angle_beta                 103.528(2)
_cell_angle_gamma                90
_cell_volume                     4817.5(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    28015
_cell_measurement_theta_min      1.52
_cell_measurement_theta_max      26.27

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_F_000             2172
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    1.383
_shelx_estimated_absorpt_T_min   0.779
_shelx_estimated_absorpt_T_max   0.863
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.7993
_exptl_absorpt_correction_T_max  0.8692
_exptl_absorpt_process_details   'X-red ver. 1.58 (Stoe & Cie. 2012)'
_exptl_absorpt_special_details   ?
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_type            STOE
_diffrn_detector_area_resol_mean 6.67
_diffrn_source                   'Genix Mo HF'
_diffrn_source_voltage           50
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_collimation    '1.2, 0.6 mm diameter, multiple pinhole'
_diffrn_ambient_temperature      100
_diffrn_measurement_method       'rotation method'
_diffrn_measurement_details      
; 148 frames, detector distance = 130 mm
;
_diffrn_reflns_number            23678
_diffrn_reflns_av_unetI/netI     0.0252
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.742
_diffrn_reflns_theta_max         25.704
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9036
_reflns_number_gt                7678
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0661P)²+10.6596P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9036
_refine_ls_number_parameters     577
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0498
_refine_ls_wR_factor_ref         0.1340
_refine_ls_wR_factor_gt          0.1251
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.008
_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_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
Y1 Y 0.49157(2) 0.23334(2) 0.19963(2) 0.02442(11) Uani 1 1 d . . . . .
N111 N 0.66920(19) 0.2267(2) 0.23718(16) 0.0365(7) Uani 1 1 d . . . . .
N112 N 0.50654(18) 0.1831(2) 0.07831(13) 0.0284(6) Uani 1 1 d . . . . .
N113 N 0.31334(19) 0.2311(2) 0.17621(14) 0.0319(7) Uani 1 1 d . . . . .
O11 O 0.52701(17) 0.27963(18) 0.30070(11) 0.0328(6) Uani 1 1 d . . . . .
O12 O 0.60196(15) 0.31555(19) 0.41010(11) 0.0308(5) Uani 1 1 d . . . . .
O13 O 0.48054(15) 0.41774(18) 0.36384(13) 0.0352(6) Uani 1 1 d . . . . .
O14 O 0.96422(15) 1.09672(17) 0.68506(11) 0.0276(5) Uani 1 1 d . . . . .
O15 O 0.91351(16) 0.91806(17) 0.66505(11) 0.0309(5) Uani 1 1 d . . . . .
O16 O 1.01438(15) 0.97995(18) 0.60958(11) 0.0295(5) Uani 1 1 d . . . . .
O21 O 0.45682(16) 0.07746(17) 0.22777(10) 0.0297(5) Uani 1 1 d . . . . .
O22 O 0.49522(15) -0.10572(19) 0.24097(12) 0.0346(6) Uani 1 1 d . . . . .
O23 O 0.36750(14) -0.05858(17) 0.16315(10) 0.0254(5) Uani 1 1 d . . . . .
O111 O 0.62891(15) 0.29745(19) 0.20525(12) 0.0352(6) Uani 1 1 d . . . . .
O112 O 0.74302(19) 0.2327(2) 0.2598(2) 0.0678(11) Uani 1 1 d . . . . .
O113 O 0.62645(15) 0.15166(18) 0.24519(12) 0.0349(6) Uani 1 1 d . . . . .
O114 O 0.52032(15) 0.12172(17) 0.12286(11) 0.0308(5) Uani 1 1 d . . . . .
O115 O 0.50655(18) 0.1577(2) 0.02689(12) 0.0404(6) Uani 1 1 d . . . . .
O116 O 0.49372(16) 0.27291(17) 0.09248(11) 0.0304(5) Uani 1 1 d . . . . .
O117 O 0.35294(15) 0.21770(18) 0.13486(11) 0.0292(5) Uani 1 1 d . . . . .
O118 O 0.23800(18) 0.2229(3) 0.16569(15) 0.0541(8) Uani 1 1 d . . . . .
O119 O 0.35694(17) 0.2529(2) 0.22867(12) 0.0355(6) Uani 1 1 d . . . . .
P11 P 0.55341(5) 0.35856(7) 0.34747(4) 0.0273(2) Uani 1 1 d . . . . .
P12 P 0.94246(5) 1.01638(6) 0.63822(4) 0.02530(19) Uani 1 1 d . . . . .
P21 P 0.42465(5) -0.02628(6) 0.22516(4) 0.02290(18) Uani 1 1 d . . . . .
C11 C 0.6491(2) 0.5384(3) 0.36259(16) 0.0298(7) Uani 1 1 d . . . . .
C12 C 0.7321(3) 0.5589(3) 0.3752(2) 0.0452(10) Uani 1 1 d . . . . .
H12 H 0.7683 0.5146 0.3607 0.054 Uiso 1 1 calc R U . . .
C13 C 0.7655(2) 0.6424(3) 0.4085(2) 0.0439(10) Uani 1 1 d . . . . .
H13 H 0.8239 0.6536 0.4164 0.053 Uiso 1 1 calc R U . . .
C14 C 0.7165(2) 0.7095(3) 0.43035(15) 0.0266(7) Uani 1 1 d . . . . .
C15 C 0.6325(3) 0.6854(4) 0.4201(2) 0.0532(12) Uani 1 1 d . . . . .
H15 H 0.5964 0.7277 0.4361 0.064 Uiso 1 1 calc R U . . .
C16 C 0.6001(3) 0.6016(3) 0.3874(2) 0.0538(13) Uani 1 1 d . . . . .
H16 H 0.5423 0.5871 0.3819 0.065 Uiso 1 1 calc R U . . .
C17 C 0.7516(2) 0.8010(2) 0.46436(15) 0.0247(7) Uani 1 1 d . . . . .
C18 C 0.8291(2) 0.8384(3) 0.46068(16) 0.0282(7) Uani 1 1 d . . . . .
H18 H 0.8581 0.8072 0.4339 0.034 Uiso 1 1 calc R U . . .
C19 C 0.8649(2) 0.9195(3) 0.49492(16) 0.0288(7) Uani 1 1 d . . . . .
H19 H 0.9186 0.9419 0.4922 0.035 Uiso 1 1 calc R U . . .
C110 C 0.8233(2) 0.9689(2) 0.53346(15) 0.0263(7) Uani 1 1 d . . . . .
C111 C 0.7437(2) 0.9361(3) 0.53466(16) 0.0300(7) Uani 1 1 d . . . . .
H111 H 0.7127 0.9709 0.5588 0.036 Uiso 1 1 calc R U . . .
C112 C 0.7090(2) 0.8534(3) 0.50113(17) 0.0324(8) Uani 1 1 d . . . . .
H112 H 0.6549 0.8318 0.5032 0.039 Uiso 1 1 calc R U . . .
C21 C 0.4001(2) -0.0321(3) 0.34223(15) 0.0278(7) Uani 1 1 d . . . . .
C22 C 0.4134(2) -0.1124(3) 0.38190(16) 0.0354(8) Uani 1 1 d . . . . .
H22 H 0.3956 -0.1772 0.3670 0.043 Uiso 1 1 calc R U . . .
C23 C 0.4523(3) -0.1002(3) 0.44296(16) 0.0352(8) Uani 1 1 d . . . . .
H23 H 0.4607 -0.1570 0.4691 0.042 Uiso 1 1 calc R U . . .
C24 C 0.4793(2) -0.0069(3) 0.46707(14) 0.0241(7) Uani 1 1 d . . . . .
C25 C 0.4652(2) 0.0736(3) 0.42648(15) 0.0274(7) Uani 1 1 d . . . . .
H25 H 0.4825 0.1387 0.4413 0.033 Uiso 1 1 calc R U . . .
C26 C 0.4270(2) 0.0618(3) 0.36553(15) 0.0287(7) Uani 1 1 d . . . . .
H26 H 0.4190 0.1183 0.3392 0.034 Uiso 1 1 calc R U . . .
C27 C 0.3572(2) -0.0456(3) 0.27555(15) 0.0302(8) Uani 1 1 d . . . . .
H27A H 0.3100 0.0019 0.2648 0.036 Uiso 1 1 calc R U . . .
H27B H 0.3341 -0.1142 0.2695 0.036 Uiso 1 1 calc R U . . .
C28 C 0.5849(2) -0.0779(4) 0.26343(19) 0.0469(10) Uani 1 1 d . . . . .
H28 H 0.5885 -0.0073 0.2786 0.056 Uiso 1 1 calc R U . . .
C29 C 0.6201(3) -0.1452(5) 0.3149(2) 0.0643(14) Uani 1 1 d . . . . .
H29A H 0.5902 -0.1358 0.3473 0.096 Uiso 1 1 calc R U . . .
H29B H 0.6142 -0.2148 0.3008 0.096 Uiso 1 1 calc R U . . .
H29C H 0.6793 -0.1297 0.3308 0.096 Uiso 1 1 calc R U . . .
C113 C 0.6137(2) 0.4521(3) 0.32087(16) 0.0313(8) Uani 1 1 d . . . . .
H11A H 0.6610 0.4180 0.3093 0.038 Uiso 1 1 calc R U . . .
H11B H 0.5784 0.4809 0.2830 0.038 Uiso 1 1 calc R U . . .
C114 C 0.6821(2) 0.2616(3) 0.41636(18) 0.0344(8) Uani 1 1 d . . . . .
H114 H 0.7068 0.2794 0.3812 0.041 Uiso 1 1 calc R U . . .
C115 C 0.7383(3) 0.2992(4) 0.4746(2) 0.0695(17) Uani 1 1 d . . . . .
H11C H 0.7926 0.2658 0.4811 0.104 Uiso 1 1 calc R U . . .
H11D H 0.7459 0.3717 0.4716 0.104 Uiso 1 1 calc R U . . .
H11E H 0.7130 0.2847 0.5090 0.104 Uiso 1 1 calc R U . . .
C116 C 0.6660(3) 0.1515(3) 0.4156(2) 0.0454(10) Uani 1 1 d . . . . .
H11F H 0.7188 0.1154 0.4197 0.068 Uiso 1 1 calc R U . . .
H11G H 0.6410 0.1339 0.4496 0.068 Uiso 1 1 calc R U . . .
H11H H 0.6277 0.1331 0.3769 0.068 Uiso 1 1 calc R U . . .
C117 C 0.4129(3) 0.3704(4) 0.3852(3) 0.0757(19) Uani 1 1 d . . . . .
H117 H 0.4172 0.2959 0.3829 0.091 Uiso 1 1 calc R U . . .
C118 C 0.3328(3) 0.4062(5) 0.3440(3) 0.0768(17) Uani 1 1 d . . . . .
H11I H 0.3299 0.3834 0.3021 0.115 Uiso 1 1 calc R U . . .
H11J H 0.2854 0.3790 0.3581 0.115 Uiso 1 1 calc R U . . .
H11K H 0.3310 0.4795 0.3448 0.115 Uiso 1 1 calc R U . . .
C119 C 0.4207(5) 0.4006(13) 0.4457(3) 0.213(8) Uani 1 1 d . . . . .
H11L H 0.3761 0.3702 0.4617 0.319 Uiso 1 1 calc R U . . .
H11M H 0.4750 0.3792 0.4704 0.319 Uiso 1 1 calc R U . . .
H11N H 0.4165 0.4737 0.4473 0.319 Uiso 1 1 calc R U . . .
C120 C 0.8630(2) 1.0548(2) 0.57353(16) 0.0280(7) Uani 1 1 d . . . . .
H12A H 0.8191 1.0913 0.5881 0.034 Uiso 1 1 calc R U . . .
H12B H 0.8877 1.1019 0.5487 0.034 Uiso 1 1 calc R U . . .
C121 C 0.8674(4) 0.9125(3) 0.7123(3) 0.0695(18) Uani 1 1 d . . . . .
H121 H 0.8505 0.9804 0.7238 0.083 Uiso 1 1 calc R U . . .
C122 C 0.7930(3) 0.8462(6) 0.6899(2) 0.079(2) Uani 1 1 d . . . . .
H12C H 0.7608 0.8413 0.7212 0.119 Uiso 1 1 calc R U . . .
H12D H 0.7578 0.8746 0.6525 0.119 Uiso 1 1 calc R U . . .
H12E H 0.8118 0.7793 0.6812 0.119 Uiso 1 1 calc R U . . .
C123 C 0.9265(5) 0.8607(7) 0.7664(3) 0.121(4) Uani 1 1 d . . . . .
H12F H 0.8989 0.8545 0.8004 0.181 Uiso 1 1 calc R U . . .
H12G H 0.9408 0.7940 0.7540 0.181 Uiso 1 1 calc R U . . .
H12H H 0.9775 0.9006 0.7795 0.181 Uiso 1 1 calc R U . . .
C124 C 1.0827(2) 0.9126(3) 0.64045(17) 0.0335(8) Uani 1 1 d . . . . .
H124 H 1.0659 0.8769 0.6747 0.040 Uiso 1 1 calc R U . . .
C125 C 1.0946(2) 0.8380(3) 0.5932(2) 0.0392(9) Uani 1 1 d . . . . .
H12I H 1.1394 0.7914 0.6115 0.059 Uiso 1 1 calc R U . . .
H12J H 1.0426 0.8007 0.5782 0.059 Uiso 1 1 calc R U . . .
H12K H 1.1094 0.8734 0.5590 0.059 Uiso 1 1 calc R U . . .
C126 C 1.1598(2) 0.9738(3) 0.66519(19) 0.0395(9) Uani 1 1 d . . . . .
H12L H 1.2053 0.9296 0.6857 0.059 Uiso 1 1 calc R U . . .
H12M H 1.1762 1.0087 0.6315 0.059 Uiso 1 1 calc R U . . .
H12N H 1.1483 1.0229 0.6945 0.059 Uiso 1 1 calc R U . . .
C210 C 0.6248(3) -0.0844(4) 0.2106(2) 0.0471(10) Uani 1 1 d . . . . .
H21A H 0.5976 -0.0373 0.1788 0.071 Uiso 1 1 calc R U . . .
H21B H 0.6842 -0.0675 0.2242 0.071 Uiso 1 1 calc R U . . .
H21C H 0.6190 -0.1527 0.1942 0.071 Uiso 1 1 calc R U . . .
C211 C 0.3998(2) -0.0709(3) 0.10718(15) 0.0262(7) Uani 1 1 d . . . . .
H211 H 0.4583 -0.0451 0.1150 0.031 Uiso 1 1 calc R U . . .
C212 C 0.3445(3) -0.0100(3) 0.05753(16) 0.0370(9) Uani 1 1 d . . . . .
H21D H 0.3640 -0.0163 0.0198 0.055 Uiso 1 1 calc R U . . .
H21E H 0.2870 -0.0344 0.0506 0.055 Uiso 1 1 calc R U . . .
H21F H 0.3466 0.0605 0.0699 0.055 Uiso 1 1 calc R U . . .
C213 C 0.3991(3) -0.1810(3) 0.09345(17) 0.0352(8) Uani 1 1 d . . . . .
H21G H 0.4201 -0.1920 0.0567 0.053 Uiso 1 1 calc R U . . .
H21H H 0.4349 -0.2163 0.1280 0.053 Uiso 1 1 calc R U . . .
H21I H 0.3419 -0.2066 0.0867 0.053 Uiso 1 1 calc R 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
Y1 O21 2.288(2) . ?
Y1 O11 2.297(2) . ?
Y1 O14 2.323(2) 4_575 ?
Y1 O111 2.395(2) . ?
Y1 O114 2.412(2) . ?
Y1 O117 2.414(2) . ?
Y1 O119 2.469(3) . ?
Y1 O113 2.473(2) . ?
Y1 O116 2.478(2) . ?
Y1 N111 2.852(3) . ?
Y1 N113 2.860(3) . ?
Y1 N112 2.878(3) . ?
N111 O112 1.206(4) . ?
N111 O113 1.262(4) . ?
N111 O111 1.275(4) . ?
N112 O115 1.206(4) . ?
N112 O116 1.271(4) . ?
N112 O114 1.274(4) . ?
N113 O118 1.213(4) . ?
N113 O119 1.265(4) . ?
N113 O117 1.268(4) . ?
O11 P11 1.482(2) . ?
O12 C114 1.481(4) . ?
O12 P11 1.559(2) . ?
O13 C117 1.457(5) . ?
O13 P11 1.552(3) . ?
O14 P12 1.488(2) . ?
O14 Y1 2.323(2) 4_676 ?
O15 C121 1.447(5) . ?
O15 P12 1.566(2) . ?
O16 C124 1.481(4) . ?
O16 P12 1.554(2) . ?
O21 P21 1.480(2) . ?
O22 C28 1.493(5) . ?
O22 P21 1.553(3) . ?
O23 C211 1.487(4) . ?
O23 P21 1.551(2) . ?
P11 C113 1.784(4) . ?
P12 C120 1.791(3) . ?
P21 C27 1.783(4) . ?
C11 C12 1.359(5) . ?
C11 C16 1.374(6) . ?
C11 C113 1.515(5) . ?
C12 C13 1.384(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.372(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(5) . ?
C14 C17 1.486(5) . ?
C15 C16 1.377(6) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.391(5) . ?
C17 C112 1.393(5) . ?
C18 C19 1.380(5) . ?
C18 H18 0.9500 . ?
C19 C110 1.392(5) . ?
C19 H19 0.9500 . ?
C110 C111 1.389(5) . ?
C110 C120 1.511(5) . ?
C111 C112 1.384(5) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C21 C22 1.380(5) . ?
C21 C26 1.391(5) . ?
C21 C27 1.513(4) . ?
C22 C23 1.383(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.390(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.395(5) . ?
C24 C24 1.491(6) 3_656 ?
C25 C26 1.379(5) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.473(6) . ?
C28 C210 1.489(6) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C113 H11A 0.9900 . ?
C113 H11B 0.9900 . ?
C114 C116 1.494(6) . ?
C114 C115 1.504(6) . ?
C114 H114 1.0000 . ?
C115 H11C 0.9800 . ?
C115 H11D 0.9800 . ?
C115 H11E 0.9800 . ?
C116 H11F 0.9800 . ?
C116 H11G 0.9800 . ?
C116 H11H 0.9800 . ?
C117 C119 1.396(10) . ?
C117 C118 1.503(8) . ?
C117 H117 1.0000 . ?
C118 H11I 0.9800 . ?
C118 H11J 0.9800 . ?
C118 H11K 0.9800 . ?
C119 H11L 0.9800 . ?
C119 H11M 0.9800 . ?
C119 H11N 0.9800 . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C121 C122 1.501(8) . ?
C121 C123 1.535(10) . ?
C121 H121 1.0000 . ?
C122 H12C 0.9800 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C124 C125 1.504(5) . ?
C124 C126 1.505(6) . ?
C124 H124 1.0000 . ?
C125 H12I 0.9800 . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C126 H12L 0.9800 . ?
C126 H12M 0.9800 . ?
C126 H12N 0.9800 . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 C213 1.502(5) . ?
C211 C212 1.505(5) . ?
C211 H211 1.0000 . ?
C212 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C213 H21G 0.9800 . ?
C213 H21H 0.9800 . ?
C213 H21I 0.9800 . ?

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
O21 Y1 O11 89.59(8) . . ?
O21 Y1 O14 151.13(9) . 4_575 ?
O11 Y1 O14 82.69(9) . 4_575 ?
O21 Y1 O111 127.25(9) . . ?
O11 Y1 O111 80.40(9) . . ?
O14 Y1 O111 78.92(8) 4_575 . ?
O21 Y1 O114 74.90(8) . . ?
O11 Y1 O114 145.99(9) . . ?
O14 Y1 O114 124.55(8) 4_575 . ?
O111 Y1 O114 85.26(9) . . ?
O21 Y1 O117 79.96(8) . . ?
O11 Y1 O117 127.35(9) . . ?
O14 Y1 O117 82.78(8) 4_575 . ?
O111 Y1 O117 144.26(9) . . ?
O114 Y1 O117 80.24(8) . . ?
O21 Y1 O119 73.99(9) . . ?
O11 Y1 O119 75.25(9) . . ?
O14 Y1 O119 77.14(9) 4_575 . ?
O111 Y1 O119 147.64(9) . . ?
O114 Y1 O119 126.46(8) . . ?
O117 Y1 O119 52.21(8) . . ?
O21 Y1 O113 75.08(8) . . ?
O11 Y1 O113 73.29(9) . . ?
O14 Y1 O113 128.00(8) 4_575 . ?
O111 Y1 O113 52.37(8) . . ?
O114 Y1 O113 73.52(9) . . ?
O117 Y1 O113 147.55(8) . . ?
O119 Y1 O113 135.47(9) . . ?
O21 Y1 O116 121.68(8) . . ?
O11 Y1 O116 148.05(9) . . ?
O14 Y1 O116 72.57(8) 4_575 . ?
O111 Y1 O116 75.32(9) . . ?
O114 Y1 O116 52.00(8) . . ?
O117 Y1 O116 69.97(8) . . ?
O119 Y1 O116 116.98(8) . . ?
O113 Y1 O116 106.36(9) . . ?
O21 Y1 N111 101.29(9) . . ?
O11 Y1 N111 73.10(10) . . ?
O14 Y1 N111 102.94(8) 4_575 . ?
O111 Y1 N111 26.34(9) . . ?
O114 Y1 N111 80.40(9) . . ?
O117 Y1 N111 159.53(9) . . ?
O119 Y1 N111 148.03(9) . . ?
O113 Y1 N111 26.21(8) . . ?
O116 Y1 N111 92.74(9) . . ?
O21 Y1 N113 74.25(9) . . ?
O11 Y1 N113 101.40(9) . . ?
O14 Y1 N113 80.06(9) 4_575 . ?
O111 Y1 N113 158.49(9) . . ?
O114 Y1 N113 103.10(9) . . ?
O117 Y1 N113 26.11(8) . . ?
O119 Y1 N113 26.15(9) . . ?
O113 Y1 N113 148.90(8) . . ?
O116 Y1 N113 94.06(9) . . ?
N111 Y1 N113 173.14(9) . . ?
O21 Y1 N112 97.66(8) . . ?
O11 Y1 N112 160.74(9) . . ?
O14 Y1 N112 98.66(8) 4_575 . ?
O111 Y1 N112 81.01(9) . . ?
O114 Y1 N112 26.02(8) . . ?
O117 Y1 N112 71.69(8) . . ?
O119 Y1 N112 123.89(8) . . ?
O113 Y1 N112 91.29(9) . . ?
O116 Y1 N112 26.11(8) . . ?
N111 Y1 N112 87.95(9) . . ?
N113 Y1 N112 97.75(9) . . ?
O112 N111 O113 122.2(3) . . ?
O112 N111 O111 122.0(3) . . ?
O113 N111 O111 115.8(3) . . ?
O112 N111 Y1 170.7(3) . . ?
O113 N111 Y1 59.90(17) . . ?
O111 N111 Y1 56.43(16) . . ?
O115 N112 O116 122.9(3) . . ?
O115 N112 O114 122.3(3) . . ?
O116 N112 O114 114.8(3) . . ?
O115 N112 Y1 174.5(2) . . ?
O116 N112 Y1 59.07(16) . . ?
O114 N112 Y1 56.10(15) . . ?
O118 N113 O119 122.3(3) . . ?
O118 N113 O117 121.5(3) . . ?
O119 N113 O117 116.1(3) . . ?
O118 N113 Y1 175.4(3) . . ?
O119 N113 Y1 59.39(17) . . ?
O117 N113 Y1 56.92(16) . . ?
P11 O11 Y1 149.28(15) . . ?
C114 O12 P11 121.5(2) . . ?
C117 O13 P11 123.5(3) . . ?
P12 O14 Y1 144.23(14) . 4_676 ?
C121 O15 P12 125.9(2) . . ?
C124 O16 P12 124.4(2) . . ?
P21 O21 Y1 162.13(15) . . ?
C28 O22 P21 122.5(3) . . ?
C211 O23 P21 122.1(2) . . ?
N111 O111 Y1 97.23(19) . . ?
N111 O113 Y1 93.89(19) . . ?
N112 O114 Y1 97.88(18) . . ?
N112 O116 Y1 94.82(18) . . ?
N113 O117 Y1 96.97(19) . . ?
N113 O119 Y1 94.45(19) . . ?
O11 P11 O13 114.60(15) . . ?
O11 P11 O12 112.56(14) . . ?
O13 P11 O12 103.58(14) . . ?
O11 P11 C113 110.72(16) . . ?
O13 P11 C113 104.19(16) . . ?
O12 P11 C113 110.69(16) . . ?
O14 P12 O16 116.04(14) . . ?
O14 P12 O15 112.10(14) . . ?
O16 P12 O15 103.18(13) . . ?
O14 P12 C120 112.25(15) . . ?
O16 P12 C120 103.63(15) . . ?
O15 P12 C120 108.87(15) . . ?
O21 P21 O23 115.63(13) . . ?
O21 P21 O22 112.87(15) . . ?
O23 P21 O22 106.29(13) . . ?
O21 P21 C27 112.41(16) . . ?
O23 P21 C27 101.23(14) . . ?
O22 P21 C27 107.45(16) . . ?
C12 C11 C16 116.8(3) . . ?
C12 C11 C113 120.4(3) . . ?
C16 C11 C113 122.8(3) . . ?
C11 C12 C13 121.8(4) . . ?
C11 C12 H12 119.1 . . ?
C13 C12 H12 119.1 . . ?
C14 C13 C12 121.9(4) . . ?
C14 C13 H13 119.0 . . ?
C12 C13 H13 119.0 . . ?
C13 C14 C15 115.9(3) . . ?
C13 C14 C17 122.1(3) . . ?
C15 C14 C17 122.0(3) . . ?
C16 C15 C14 121.7(4) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C11 C16 C15 121.7(4) . . ?
C11 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C18 C17 C112 116.9(3) . . ?
C18 C17 C14 121.1(3) . . ?
C112 C17 C14 122.0(3) . . ?
C19 C18 C17 121.8(3) . . ?
C19 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
C18 C19 C110 120.8(3) . . ?
C18 C19 H19 119.6 . . ?
C110 C19 H19 119.6 . . ?
C111 C110 C19 117.9(3) . . ?
C111 C110 C120 120.5(3) . . ?
C19 C110 C120 121.6(3) . . ?
C112 C111 C110 120.8(3) . . ?
C112 C111 H111 119.6 . . ?
C110 C111 H111 119.6 . . ?
C111 C112 C17 121.6(3) . . ?
C111 C112 H112 119.2 . . ?
C17 C112 H112 119.2 . . ?
C22 C21 C26 117.9(3) . . ?
C22 C21 C27 121.1(3) . . ?
C26 C21 C27 121.0(3) . . ?
C21 C22 C23 121.2(3) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C24 121.7(3) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C23 C24 C25 116.5(3) . . ?
C23 C24 C24 121.9(4) . 3_656 ?
C25 C24 C24 121.6(4) . 3_656 ?
C26 C25 C24 122.0(3) . . ?
C26 C25 H25 119.0 . . ?
C24 C25 H25 119.0 . . ?
C25 C26 C21 120.7(3) . . ?
C25 C26 H26 119.7 . . ?
C21 C26 H26 119.7 . . ?
C21 C27 P21 113.5(2) . . ?
C21 C27 H27A 108.9 . . ?
P21 C27 H27A 108.9 . . ?
C21 C27 H27B 108.9 . . ?
P21 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
C29 C28 C210 115.2(4) . . ?
C29 C28 O22 106.9(4) . . ?
C210 C28 O22 107.6(3) . . ?
C29 C28 H28 109.0 . . ?
C210 C28 H28 109.0 . . ?
O22 C28 H28 109.0 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C11 C113 P11 119.3(3) . . ?
C11 C113 H11A 107.5 . . ?
P11 C113 H11A 107.5 . . ?
C11 C113 H11B 107.5 . . ?
P11 C113 H11B 107.5 . . ?
H11A C113 H11B 107.0 . . ?
O12 C114 C116 109.1(3) . . ?
O12 C114 C115 105.9(3) . . ?
C116 C114 C115 114.2(4) . . ?
O12 C114 H114 109.2 . . ?
C116 C114 H114 109.2 . . ?
C115 C114 H114 109.2 . . ?
C114 C115 H11C 109.5 . . ?
C114 C115 H11D 109.5 . . ?
H11C C115 H11D 109.5 . . ?
C114 C115 H11E 109.5 . . ?
H11C C115 H11E 109.5 . . ?
H11D C115 H11E 109.5 . . ?
C114 C116 H11F 109.5 . . ?
C114 C116 H11G 109.5 . . ?
H11F C116 H11G 109.5 . . ?
C114 C116 H11H 109.5 . . ?
H11F C116 H11H 109.5 . . ?
H11G C116 H11H 109.5 . . ?
C119 C117 O13 107.1(6) . . ?
C119 C117 C118 112.2(6) . . ?
O13 C117 C118 106.7(4) . . ?
C119 C117 H117 110.3 . . ?
O13 C117 H117 110.3 . . ?
C118 C117 H117 110.3 . . ?
C117 C118 H11I 109.5 . . ?
C117 C118 H11J 109.5 . . ?
H11I C118 H11J 109.5 . . ?
C117 C118 H11K 109.5 . . ?
H11I C118 H11K 109.5 . . ?
H11J C118 H11K 109.5 . . ?
C117 C119 H11L 109.5 . . ?
C117 C119 H11M 109.5 . . ?
H11L C119 H11M 109.5 . . ?
C117 C119 H11N 109.5 . . ?
H11L C119 H11N 109.5 . . ?
H11M C119 H11N 109.5 . . ?
C110 C120 P12 113.6(2) . . ?
C110 C120 H12A 108.8 . . ?
P12 C120 H12A 108.8 . . ?
C110 C120 H12B 108.8 . . ?
P12 C120 H12B 108.8 . . ?
H12A C120 H12B 107.7 . . ?
O15 C121 C122 108.1(4) . . ?
O15 C121 C123 105.2(5) . . ?
C122 C121 C123 108.5(4) . . ?
O15 C121 H121 111.6 . . ?
C122 C121 H121 111.6 . . ?
C123 C121 H121 111.6 . . ?
C121 C122 H12C 109.5 . . ?
C121 C122 H12D 109.5 . . ?
H12C C122 H12D 109.5 . . ?
C121 C122 H12E 109.5 . . ?
H12C C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
C121 C123 H12G 109.5 . . ?
H12F C123 H12G 109.5 . . ?
C121 C123 H12H 109.5 . . ?
H12F C123 H12H 109.5 . . ?
H12G C123 H12H 109.5 . . ?
O16 C124 C125 106.3(3) . . ?
O16 C124 C126 109.1(3) . . ?
C125 C124 C126 112.5(3) . . ?
O16 C124 H124 109.6 . . ?
C125 C124 H124 109.6 . . ?
C126 C124 H124 109.6 . . ?
C124 C125 H12I 109.5 . . ?
C124 C125 H12J 109.5 . . ?
H12I C125 H12J 109.5 . . ?
C124 C125 H12K 109.5 . . ?
H12I C125 H12K 109.5 . . ?
H12J C125 H12K 109.5 . . ?
C124 C126 H12L 109.5 . . ?
C124 C126 H12M 109.5 . . ?
H12L C126 H12M 109.5 . . ?
C124 C126 H12N 109.5 . . ?
H12L C126 H12N 109.5 . . ?
H12M C126 H12N 109.5 . . ?
C28 C210 H21A 109.5 . . ?
C28 C210 H21B 109.5 . . ?
H21A C210 H21B 109.5 . . ?
C28 C210 H21C 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
O23 C211 C213 107.2(3) . . ?
O23 C211 C212 107.1(3) . . ?
C213 C211 C212 113.8(3) . . ?
O23 C211 H211 109.5 . . ?
C213 C211 H211 109.5 . . ?
C212 C211 H211 109.5 . . ?
C211 C212 H21D 109.5 . . ?
C211 C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
C211 C212 H21F 109.5 . . ?
H21D C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C211 C213 H21G 109.5 . . ?
C211 C213 H21H 109.5 . . ?
H21G C213 H21H 109.5 . . ?
C211 C213 H21I 109.5 . . ?
H21G C213 H21I 109.5 . . ?
H21H C213 H21I 109.5 . . ?

_refine_diff_density_max         1.699
_refine_diff_density_min         -0.994
_refine_diff_density_rms         0.081

####################################################################### 
# 
# 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_TbL5
_database_code_depnum_ccdc_archive 'CCDC 1562262'
_audit_update_record             
;
2017-07-14 deposited with the CCDC.
2017-09-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H60 N3 O18 P3 Tb'
_chemical_formula_weight         1110.73

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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

_cell_length_a                   16.4639(6)
_cell_length_b                   13.4794(3)
_cell_length_c                   22.5915(8)
_cell_angle_alpha                90
_cell_angle_beta                 104.281(3)
_cell_angle_gamma                90
_cell_volume                     4858.7(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    20456
_cell_measurement_theta_min      1.51
_cell_measurement_theta_max      26.14

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_F_000             2276
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    1.627
_shelx_estimated_absorpt_T_min   0.923
_shelx_estimated_absorpt_T_max   0.938
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.8897
_exptl_absorpt_correction_T_max  0.9710
_exptl_absorpt_process_details   'X-red ver. 1.58 (Stoe & Cie. 2012)'
_exptl_absorpt_special_details   ?
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_type            STOE
_diffrn_detector_area_resol_mean 6.67
_diffrn_source                   'Genix Mo HF'
_diffrn_source_voltage           50
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_collimation    '1.2, 0.6 mm diameter, multiple pinhole'
_diffrn_ambient_temperature      100
_diffrn_measurement_method       'rotation method'
_diffrn_measurement_details      
; 134 frames, detector distance = 130 mm
;
_diffrn_reflns_number            22107
_diffrn_reflns_av_unetI/netI     0.0648
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.755
_diffrn_reflns_theta_max         25.726
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9122
_reflns_number_gt                6262
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0908P)²+4.8387P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9122
_refine_ls_number_parameters     577
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0935
_refine_ls_R_factor_gt           0.0601
_refine_ls_wR_factor_ref         0.1635
_refine_ls_wR_factor_gt          0.1457
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_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_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
Tb1 Tb 0.49197(2) 0.23330(3) 0.19976(2) 0.04313(13) Uani 1 1 d . . . . .
N111 N 0.6721(4) 0.2248(5) 0.2377(3) 0.0593(18) Uani 1 1 d . . . . .
N112 N 0.5051(4) 0.1846(5) 0.0777(3) 0.0461(14) Uani 1 1 d . . . . .
N113 N 0.3122(4) 0.2308(5) 0.1762(3) 0.0533(15) Uani 1 1 d . . . . .
O11 O 0.5295(4) 0.2804(4) 0.3020(2) 0.0549(14) Uani 1 1 d . . . . .
O12 O 0.6067(3) 0.3190(4) 0.4111(2) 0.0550(14) Uani 1 1 d . . . . .
O13 O 0.4838(3) 0.4175(4) 0.3650(2) 0.0553(13) Uani 1 1 d . . . . .
O14 O 0.9644(3) 1.0958(3) 0.6853(2) 0.0457(12) Uani 1 1 d . . . . .
O15 O 0.9151(3) 0.9188(4) 0.6651(2) 0.0490(12) Uani 1 1 d . . . . .
O16 O 1.0155(3) 0.9818(4) 0.6107(2) 0.0495(12) Uani 1 1 d . . . . .
O21 O 0.4573(3) 0.0764(3) 0.22769(19) 0.0453(11) Uani 1 1 d . . . . .
O22 O 0.4952(3) -0.1041(4) 0.2421(2) 0.0539(13) Uani 1 1 d . . . . .
O23 O 0.3668(3) -0.0586(4) 0.16297(19) 0.0436(11) Uani 1 1 d . . . . .
O111 O 0.6322(3) 0.2964(4) 0.2065(3) 0.0569(14) Uani 1 1 d . . . . .
O112 O 0.7462(4) 0.2303(5) 0.2610(4) 0.097(3) Uani 1 1 d . . . . .
O113 O 0.6278(3) 0.1508(4) 0.2457(2) 0.0534(13) Uani 1 1 d . . . . .
O114 O 0.5202(3) 0.1224(4) 0.1217(2) 0.0501(12) Uani 1 1 d . . . . .
O115 O 0.5038(4) 0.1603(4) 0.0256(2) 0.0594(14) Uani 1 1 d . . . . .
O116 O 0.4923(3) 0.2719(4) 0.0921(2) 0.0485(12) Uani 1 1 d . . . . .
O117 O 0.3497(3) 0.2185(4) 0.1347(2) 0.0477(12) Uani 1 1 d . . . . .
O118 O 0.2356(4) 0.2202(6) 0.1661(3) 0.082(2) Uani 1 1 d . . . . .
O119 O 0.3557(4) 0.2527(4) 0.2287(2) 0.0572(14) Uani 1 1 d . . . . .
P11 P 0.55630(13) 0.36002(15) 0.34834(8) 0.0488(5) Uani 1 1 d . . . . .
P12 P 0.94307(12) 1.01640(14) 0.63858(8) 0.0444(4) Uani 1 1 d . . . . .
P21 P 0.42463(11) -0.02602(14) 0.22533(7) 0.0409(4) Uani 1 1 d . . . . .
C11 C 0.6498(5) 0.5399(6) 0.3626(3) 0.0481(18) Uani 1 1 d . . . . .
C12 C 0.7321(6) 0.5611(8) 0.3746(4) 0.075(3) Uani 1 1 d . . . . .
H12 H 0.7683 0.5187 0.3593 0.090 Uiso 1 1 calc R U . . .
C13 C 0.7654(5) 0.6437(7) 0.4090(4) 0.070(3) Uani 1 1 d . . . . .
H13 H 0.8242 0.6545 0.4179 0.084 Uiso 1 1 calc R U . . .
C14 C 0.7170(4) 0.7097(5) 0.4304(3) 0.0441(17) Uani 1 1 d . . . . .
C15 C 0.6331(6) 0.6846(8) 0.4206(5) 0.079(3) Uani 1 1 d . . . . .
H15 H 0.5972 0.7258 0.4369 0.095 Uiso 1 1 calc R U . . .
C16 C 0.6002(6) 0.6012(8) 0.3875(5) 0.078(3) Uani 1 1 d . . . . .
H16 H 0.5425 0.5860 0.3820 0.094 Uiso 1 1 calc R U . . .
C17 C 0.7523(4) 0.8003(5) 0.4641(3) 0.0401(15) Uani 1 1 d . . . . .
C18 C 0.8302(5) 0.8366(5) 0.4616(3) 0.0462(17) Uani 1 1 d . . . . .
H18 H 0.8602 0.8049 0.4360 0.055 Uiso 1 1 calc R U . . .
C19 C 0.8650(5) 0.9178(5) 0.4955(3) 0.0446(16) Uani 1 1 d . . . . .
H19 H 0.9186 0.9406 0.4929 0.054 Uiso 1 1 calc R U . . .
C110 C 0.8238(4) 0.9675(5) 0.5336(3) 0.0420(16) Uani 1 1 d . . . . .
C111 C 0.7443(5) 0.9342(6) 0.5340(3) 0.0485(17) Uani 1 1 d . . . . .
H111 H 0.7131 0.9684 0.5579 0.058 Uiso 1 1 calc R U . . .
C112 C 0.7097(5) 0.8524(6) 0.5005(3) 0.0516(19) Uani 1 1 d . . . . .
H112 H 0.6553 0.8309 0.5022 0.062 Uiso 1 1 calc R U . . .
C21 C 0.4008(4) -0.0309(6) 0.3419(3) 0.0467(17) Uani 1 1 d . . . . .
C22 C 0.4138(6) -0.1112(7) 0.3810(3) 0.060(2) Uani 1 1 d . . . . .
H22 H 0.3965 -0.1755 0.3657 0.072 Uiso 1 1 calc R U . . .
C23 C 0.4519(6) -0.0989(6) 0.4425(3) 0.060(2) Uani 1 1 d . . . . .
H23 H 0.4591 -0.1550 0.4687 0.072 Uiso 1 1 calc R U . . .
C24 C 0.4798(4) -0.0072(6) 0.4667(3) 0.0470(17) Uani 1 1 d . . . . .
C25 C 0.4647(5) 0.0732(6) 0.4272(3) 0.0485(17) Uani 1 1 d . . . . .
H25 H 0.4809 0.1377 0.4426 0.058 Uiso 1 1 calc R U . . .
C26 C 0.4262(5) 0.0613(7) 0.3656(3) 0.0509(18) Uani 1 1 d . . . . .
H26 H 0.4174 0.1176 0.3395 0.061 Uiso 1 1 calc R U . . .
C27 C 0.3571(5) -0.0440(6) 0.2745(3) 0.0507(19) Uani 1 1 d . . . . .
H27A H 0.3101 0.0039 0.2634 0.061 Uiso 1 1 calc R U . . .
H27B H 0.3331 -0.1116 0.2681 0.061 Uiso 1 1 calc R U . . .
C28 C 0.5857(5) -0.0791(8) 0.2643(4) 0.067(2) Uani 1 1 d . . . . .
H28 H 0.5892 -0.0087 0.2787 0.080 Uiso 1 1 calc R U . . .
C29 C 0.6208(7) -0.1397(11) 0.3162(5) 0.106(4) Uani 1 1 d . . . . .
H29A H 0.5892 -0.1300 0.3472 0.158 Uiso 1 1 calc R U . . .
H29B H 0.6178 -0.2095 0.3038 0.158 Uiso 1 1 calc R U . . .
H29C H 0.6795 -0.1210 0.3331 0.158 Uiso 1 1 calc R U . . .
C113 C 0.6144(5) 0.4539(6) 0.3214(3) 0.0523(19) Uani 1 1 d . . . . .
H11A H 0.6618 0.4210 0.3096 0.063 Uiso 1 1 calc R U . . .
H11B H 0.5777 0.4818 0.2836 0.063 Uiso 1 1 calc R U . . .
C114 C 0.6843(5) 0.2623(6) 0.4163(4) 0.0535(19) Uani 1 1 d . . . . .
H114 H 0.7069 0.2768 0.3800 0.064 Uiso 1 1 calc R U . . .
C115 C 0.7453(7) 0.3022(9) 0.4735(5) 0.105(4) Uani 1 1 d . . . . .
H11C H 0.7990 0.2673 0.4798 0.157 Uiso 1 1 calc R U . . .
H11D H 0.7541 0.3734 0.4686 0.157 Uiso 1 1 calc R U . . .
H11E H 0.7221 0.2917 0.5090 0.157 Uiso 1 1 calc R U . . .
C116 C 0.6682(6) 0.1536(7) 0.4185(4) 0.067(2) Uani 1 1 d . . . . .
H11F H 0.7207 0.1172 0.4220 0.101 Uiso 1 1 calc R U . . .
H11G H 0.6460 0.1388 0.4540 0.101 Uiso 1 1 calc R U . . .
H11H H 0.6274 0.1334 0.3811 0.101 Uiso 1 1 calc R U . . .
C117 C 0.4124(9) 0.3681(10) 0.3837(6) 0.112(5) Uani 1 1 d . . . . .
H117 H 0.4159 0.2945 0.3795 0.134 Uiso 1 1 calc R U . . .
C118 C 0.3344(7) 0.4050(12) 0.3448(6) 0.120(5) Uani 1 1 d . . . . .
H11I H 0.3303 0.3848 0.3025 0.180 Uiso 1 1 calc R U . . .
H11J H 0.2870 0.3775 0.3584 0.180 Uiso 1 1 calc R U . . .
H11K H 0.3333 0.4776 0.3472 0.180 Uiso 1 1 calc R U . . .
C119 C 0.4229(9) 0.394(2) 0.4449(7) 0.217(14) Uani 1 1 d . . . . .
H11L H 0.4763 0.3670 0.4689 0.325 Uiso 1 1 calc R U . . .
H11M H 0.4231 0.4661 0.4488 0.325 Uiso 1 1 calc R U . . .
H11N H 0.3768 0.3660 0.4600 0.325 Uiso 1 1 calc R U . . .
C120 C 0.8628(4) 1.0537(5) 0.5731(3) 0.0423(16) Uani 1 1 d . . . . .
H12A H 0.8185 1.0896 0.5871 0.051 Uiso 1 1 calc R U . . .
H12B H 0.8872 1.1002 0.5483 0.051 Uiso 1 1 calc R U . . .
C121 C 0.8686(10) 0.9118(8) 0.7113(5) 0.098(4) Uani 1 1 d . . . . .
H121 H 0.8522 0.9789 0.7231 0.118 Uiso 1 1 calc R U . . .
C122 C 0.7953(7) 0.8483(13) 0.6905(5) 0.113(5) Uani 1 1 d . . . . .
H12C H 0.7644 0.8443 0.7224 0.170 Uiso 1 1 calc R U . . .
H12D H 0.7588 0.8763 0.6533 0.170 Uiso 1 1 calc R U . . .
H12E H 0.8133 0.7817 0.6819 0.170 Uiso 1 1 calc R U . . .
C123 C 0.9260(12) 0.8599(17) 0.7652(6) 0.196(11) Uani 1 1 d . . . . .
H12F H 0.8973 0.8530 0.7982 0.294 Uiso 1 1 calc R U . . .
H12G H 0.9405 0.7940 0.7526 0.294 Uiso 1 1 calc R U . . .
H12H H 0.9772 0.8991 0.7796 0.294 Uiso 1 1 calc R U . . .
C124 C 1.0853(5) 0.9164(6) 0.6420(3) 0.0518(19) Uani 1 1 d . . . . .
H124 H 1.0704 0.8837 0.6777 0.062 Uiso 1 1 calc R U . . .
C125 C 1.0946(5) 0.8380(7) 0.5960(4) 0.064(2) Uani 1 1 d . . . . .
H12I H 1.1403 0.7928 0.6147 0.095 Uiso 1 1 calc R U . . .
H12J H 1.0422 0.8005 0.5831 0.095 Uiso 1 1 calc R U . . .
H12K H 1.1072 0.8701 0.5604 0.095 Uiso 1 1 calc R U . . .
C126 C 1.1626(5) 0.9777(6) 0.6643(4) 0.059(2) Uani 1 1 d . . . . .
H12L H 1.2090 0.9349 0.6851 0.088 Uiso 1 1 calc R U . . .
H12M H 1.1772 1.0104 0.6295 0.088 Uiso 1 1 calc R U . . .
H12N H 1.1524 1.0281 0.6929 0.088 Uiso 1 1 calc R U . . .
C210 C 0.6255(5) -0.0838(7) 0.2124(4) 0.069(2) Uani 1 1 d . . . . .
H21A H 0.5959 -0.0393 0.1799 0.103 Uiso 1 1 calc R U . . .
H21B H 0.6843 -0.0634 0.2261 0.103 Uiso 1 1 calc R U . . .
H21C H 0.6226 -0.1519 0.1968 0.103 Uiso 1 1 calc R U . . .
C211 C 0.3991(5) -0.0705(6) 0.1075(3) 0.0449(16) Uani 1 1 d . . . . .
H211 H 0.4579 -0.0452 0.1161 0.054 Uiso 1 1 calc R U . . .
C212 C 0.3448(5) -0.0102(6) 0.0575(3) 0.058(2) Uani 1 1 d . . . . .
H21D H 0.3648 -0.0168 0.0203 0.088 Uiso 1 1 calc R U . . .
H21E H 0.2868 -0.0339 0.0497 0.088 Uiso 1 1 calc R U . . .
H21F H 0.3471 0.0596 0.0699 0.088 Uiso 1 1 calc R U . . .
C213 C 0.3985(5) -0.1791(6) 0.0935(3) 0.0537(19) Uani 1 1 d . . . . .
H21G H 0.4196 -0.1895 0.0570 0.081 Uiso 1 1 calc R U . . .
H21H H 0.4345 -0.2142 0.1282 0.081 Uiso 1 1 calc R U . . .
H21I H 0.3412 -0.2045 0.0862 0.081 Uiso 1 1 calc R 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
Tb1 O21 2.318(5) . ?
Tb1 O11 2.327(4) . ?
Tb1 O14 2.355(5) 4_575 ?
Tb1 O111 2.429(5) . ?
Tb1 O114 2.443(5) . ?
Tb1 O117 2.447(5) . ?
Tb1 O113 2.483(5) . ?
Tb1 O116 2.488(5) . ?
Tb1 O119 2.501(6) . ?
Tb1 N113 2.876(7) . ?
Tb1 N111 2.879(7) . ?
Tb1 N112 2.893(6) . ?
N111 O112 1.205(8) . ?
N111 O113 1.276(8) . ?
N111 O111 1.277(8) . ?
N112 O115 1.218(7) . ?
N112 O116 1.252(8) . ?
N112 O114 1.277(8) . ?
N113 O118 1.232(9) . ?
N113 O117 1.256(8) . ?
N113 O119 1.260(8) . ?
O11 P11 1.488(5) . ?
O12 C114 1.469(9) . ?
O12 P11 1.556(5) . ?
O13 C117 1.500(16) . ?
O13 P11 1.545(6) . ?
O14 P12 1.483(5) . ?
O14 Tb1 2.355(5) 4_676 ?
O15 C121 1.441(11) . ?
O15 P12 1.561(5) . ?
O16 C124 1.482(8) . ?
O16 P12 1.552(5) . ?
O21 P21 1.478(5) . ?
O22 C28 1.489(10) . ?
O22 P21 1.545(5) . ?
O23 C211 1.486(8) . ?
O23 P21 1.556(4) . ?
P11 C113 1.782(8) . ?
P12 C120 1.795(6) . ?
P21 C27 1.772(8) . ?
C11 C12 1.346(12) . ?
C11 C16 1.376(12) . ?
C11 C113 1.511(10) . ?
C12 C13 1.390(12) . ?
C12 H12 0.9500 . ?
C13 C14 1.361(12) . ?
C13 H13 0.9500 . ?
C14 C15 1.385(12) . ?
C14 C17 1.479(10) . ?
C15 C16 1.384(12) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.387(10) . ?
C17 C112 1.396(10) . ?
C18 C19 1.377(10) . ?
C18 H18 0.9500 . ?
C19 C110 1.391(10) . ?
C19 H19 0.9500 . ?
C110 C111 1.386(10) . ?
C110 C120 1.509(9) . ?
C111 C112 1.380(10) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C21 C26 1.378(11) . ?
C21 C22 1.381(11) . ?
C21 C27 1.525(9) . ?
C22 C23 1.385(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.386(11) . ?
C24 C24 1.500(13) 3_656 ?
C25 C26 1.389(9) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.428(13) . ?
C28 C210 1.480(13) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C113 H11A 0.9900 . ?
C113 H11B 0.9900 . ?
C114 C116 1.493(12) . ?
C114 C115 1.527(11) . ?
C114 H114 1.0000 . ?
C115 H11C 0.9800 . ?
C115 H11D 0.9800 . ?
C115 H11E 0.9800 . ?
C116 H11F 0.9800 . ?
C116 H11G 0.9800 . ?
C116 H11H 0.9800 . ?
C117 C119 1.392(19) . ?
C117 C118 1.453(16) . ?
C117 H117 1.0000 . ?
C118 H11I 0.9800 . ?
C118 H11J 0.9800 . ?
C118 H11K 0.9800 . ?
C119 H11L 0.9800 . ?
C119 H11M 0.9800 . ?
C119 H11N 0.9800 . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C121 C122 1.460(17) . ?
C121 C123 1.52(2) . ?
C121 H121 1.0000 . ?
C122 H12C 0.9800 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C124 C126 1.497(11) . ?
C124 C125 1.517(11) . ?
C124 H124 1.0000 . ?
C125 H12I 0.9800 . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C126 H12L 0.9800 . ?
C126 H12M 0.9800 . ?
C126 H12N 0.9800 . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 C212 1.496(10) . ?
C211 C213 1.496(11) . ?
C211 H211 1.0000 . ?
C212 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C213 H21G 0.9800 . ?
C213 H21H 0.9800 . ?
C213 H21I 0.9800 . ?

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
O21 Tb1 O11 90.12(17) . . ?
O21 Tb1 O14 151.43(19) . 4_575 ?
O11 Tb1 O14 82.28(16) . 4_575 ?
O21 Tb1 O111 126.60(17) . . ?
O11 Tb1 O111 80.0(2) . . ?
O14 Tb1 O111 79.27(18) 4_575 . ?
O21 Tb1 O114 75.02(17) . . ?
O11 Tb1 O114 146.33(18) . . ?
O14 Tb1 O114 124.26(17) 4_575 . ?
O111 Tb1 O114 84.97(19) . . ?
O21 Tb1 O117 79.96(17) . . ?
O11 Tb1 O117 126.82(19) . . ?
O14 Tb1 O117 82.72(17) 4_575 . ?
O111 Tb1 O117 145.09(17) . . ?
O114 Tb1 O117 80.84(17) . . ?
O21 Tb1 O113 74.61(17) . . ?
O11 Tb1 O113 73.49(19) . . ?
O14 Tb1 O113 128.22(17) 4_575 . ?
O111 Tb1 O113 52.19(17) . . ?
O114 Tb1 O113 73.48(17) . . ?
O117 Tb1 O113 147.58(16) . . ?
O21 Tb1 O116 121.11(16) . . ?
O11 Tb1 O116 148.08(19) . . ?
O14 Tb1 O116 72.94(16) 4_575 . ?
O111 Tb1 O116 75.93(18) . . ?
O114 Tb1 O116 51.36(16) . . ?
O117 Tb1 O116 70.27(17) . . ?
O113 Tb1 O116 106.46(18) . . ?
O21 Tb1 O119 74.17(18) . . ?
O11 Tb1 O119 75.38(19) . . ?
O14 Tb1 O119 77.26(18) 4_575 . ?
O111 Tb1 O119 147.88(19) . . ?
O114 Tb1 O119 126.57(17) . . ?
O117 Tb1 O119 51.57(17) . . ?
O113 Tb1 O119 135.28(18) . . ?
O116 Tb1 O119 116.90(17) . . ?
O21 Tb1 N113 74.23(19) . . ?
O11 Tb1 N113 101.3(2) . . ?
O14 Tb1 N113 80.30(19) 4_575 . ?
O111 Tb1 N113 159.16(18) . . ?
O114 Tb1 N113 103.30(18) . . ?
O117 Tb1 N113 25.71(17) . . ?
O113 Tb1 N113 148.38(18) . . ?
O116 Tb1 N113 94.14(18) . . ?
O119 Tb1 N113 25.93(17) . . ?
O21 Tb1 N111 100.82(18) . . ?
O11 Tb1 N111 73.3(2) . . ?
O14 Tb1 N111 103.24(18) 4_575 . ?
O111 Tb1 N111 26.10(18) . . ?
O114 Tb1 N111 79.91(19) . . ?
O117 Tb1 N111 159.8(2) . . ?
O113 Tb1 N111 26.22(17) . . ?
O116 Tb1 N111 92.78(19) . . ?
O119 Tb1 N111 148.32(19) . . ?
N113 Tb1 N111 172.9(2) . . ?
O21 Tb1 N112 97.68(18) . . ?
O11 Tb1 N112 160.65(19) . . ?
O14 Tb1 N112 98.43(17) 4_575 . ?
O111 Tb1 N112 81.14(18) . . ?
O114 Tb1 N112 25.98(17) . . ?
O117 Tb1 N112 72.20(16) . . ?
O113 Tb1 N112 91.48(17) . . ?
O116 Tb1 N112 25.50(17) . . ?
O119 Tb1 N112 123.76(16) . . ?
N113 Tb1 N112 97.85(17) . . ?
N111 Tb1 N112 87.76(19) . . ?
O112 N111 O113 122.6(7) . . ?
O112 N111 O111 121.5(7) . . ?
O113 N111 O111 115.7(6) . . ?
O112 N111 Tb1 169.8(7) . . ?
O113 N111 Tb1 59.3(3) . . ?
O111 N111 Tb1 56.9(4) . . ?
O115 N112 O116 122.7(6) . . ?
O115 N112 O114 121.9(6) . . ?
O116 N112 O114 115.4(5) . . ?
O115 N112 Tb1 174.3(5) . . ?
O116 N112 Tb1 58.8(3) . . ?
O114 N112 Tb1 56.9(3) . . ?
O118 N113 O117 121.0(7) . . ?
O118 N113 O119 121.4(7) . . ?
O117 N113 O119 117.6(6) . . ?
O118 N113 Tb1 174.0(6) . . ?
O117 N113 Tb1 57.7(3) . . ?
O119 N113 Tb1 60.2(4) . . ?
P11 O11 Tb1 148.8(3) . . ?
C114 O12 P11 121.0(5) . . ?
C117 O13 P11 123.6(6) . . ?
P12 O14 Tb1 144.0(3) . 4_676 ?
C121 O15 P12 126.4(5) . . ?
C124 O16 P12 124.6(4) . . ?
P21 O21 Tb1 162.6(3) . . ?
C28 O22 P21 123.9(6) . . ?
C211 O23 P21 121.9(4) . . ?
N111 O111 Tb1 97.0(4) . . ?
N111 O113 Tb1 94.5(4) . . ?
N112 O114 Tb1 97.1(4) . . ?
N112 O116 Tb1 95.7(4) . . ?
N113 O117 Tb1 96.6(4) . . ?
N113 O119 Tb1 93.9(4) . . ?
O11 P11 O13 114.9(3) . . ?
O11 P11 O12 112.6(3) . . ?
O13 P11 O12 103.1(3) . . ?
O11 P11 C113 111.2(3) . . ?
O13 P11 C113 103.9(4) . . ?
O12 P11 C113 110.7(3) . . ?
O14 P12 O16 115.8(3) . . ?
O14 P12 O15 112.0(3) . . ?
O16 P12 O15 103.4(3) . . ?
O14 P12 C120 112.4(3) . . ?
O16 P12 C120 103.5(3) . . ?
O15 P12 C120 109.0(3) . . ?
O21 P21 O22 112.5(3) . . ?
O21 P21 O23 115.6(3) . . ?
O22 P21 O23 106.5(3) . . ?
O21 P21 C27 112.6(3) . . ?
O22 P21 C27 107.7(4) . . ?
O23 P21 C27 101.0(3) . . ?
C12 C11 C16 117.3(7) . . ?
C12 C11 C113 120.2(8) . . ?
C16 C11 C113 122.4(7) . . ?
C11 C12 C13 121.5(9) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 H12 119.3 . . ?
C14 C13 C12 122.5(8) . . ?
C14 C13 H13 118.8 . . ?
C12 C13 H13 118.8 . . ?
C13 C14 C15 115.6(7) . . ?
C13 C14 C17 122.1(7) . . ?
C15 C14 C17 122.3(7) . . ?
C16 C15 C14 121.8(9) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
C11 C16 C15 121.1(8) . . ?
C11 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C18 C17 C112 116.8(7) . . ?
C18 C17 C14 121.5(7) . . ?
C112 C17 C14 121.8(7) . . ?
C19 C18 C17 121.4(7) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C19 C110 121.8(7) . . ?
C18 C19 H19 119.1 . . ?
C110 C19 H19 119.1 . . ?
C111 C110 C19 117.0(6) . . ?
C111 C110 C120 120.7(7) . . ?
C19 C110 C120 122.3(6) . . ?
C112 C111 C110 121.2(7) . . ?
C112 C111 H111 119.4 . . ?
C110 C111 H111 119.4 . . ?
C111 C112 C17 121.8(7) . . ?
C111 C112 H112 119.1 . . ?
C17 C112 H112 119.1 . . ?
C26 C21 C22 118.3(6) . . ?
C26 C21 C27 121.1(7) . . ?
C22 C21 C27 120.6(7) . . ?
C21 C22 C23 120.5(8) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C24 C23 C22 121.9(8) . . ?
C24 C23 H23 119.1 . . ?
C22 C23 H23 119.1 . . ?
C23 C24 C25 117.0(6) . . ?
C23 C24 C24 122.3(9) . 3_656 ?
C25 C24 C24 120.6(9) . 3_656 ?
C24 C25 C26 121.3(7) . . ?
C24 C25 H25 119.3 . . ?
C26 C25 H25 119.3 . . ?
C21 C26 C25 120.9(7) . . ?
C21 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C21 C27 P21 113.3(5) . . ?
C21 C27 H27A 108.9 . . ?
P21 C27 H27A 108.9 . . ?
C21 C27 H27B 108.9 . . ?
P21 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
C29 C28 C210 117.3(9) . . ?
C29 C28 O22 108.4(8) . . ?
C210 C28 O22 108.9(6) . . ?
C29 C28 H28 107.3 . . ?
C210 C28 H28 107.3 . . ?
O22 C28 H28 107.3 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C11 C113 P11 119.5(6) . . ?
C11 C113 H11A 107.5 . . ?
P11 C113 H11A 107.5 . . ?
C11 C113 H11B 107.5 . . ?
P11 C113 H11B 107.5 . . ?
H11A C113 H11B 107.0 . . ?
O12 C114 C116 110.8(7) . . ?
O12 C114 C115 105.2(7) . . ?
C116 C114 C115 113.7(8) . . ?
O12 C114 H114 109.0 . . ?
C116 C114 H114 109.0 . . ?
C115 C114 H114 109.0 . . ?
C114 C115 H11C 109.5 . . ?
C114 C115 H11D 109.5 . . ?
H11C C115 H11D 109.5 . . ?
C114 C115 H11E 109.5 . . ?
H11C C115 H11E 109.5 . . ?
H11D C115 H11E 109.5 . . ?
C114 C116 H11F 109.5 . . ?
C114 C116 H11G 109.5 . . ?
H11F C116 H11G 109.5 . . ?
C114 C116 H11H 109.5 . . ?
H11F C116 H11H 109.5 . . ?
H11G C116 H11H 109.5 . . ?
C119 C117 C118 113.0(13) . . ?
C119 C117 O13 104.8(14) . . ?
C118 C117 O13 108.3(10) . . ?
C119 C117 H117 110.2 . . ?
C118 C117 H117 110.2 . . ?
O13 C117 H117 110.2 . . ?
C117 C118 H11I 109.5 . . ?
C117 C118 H11J 109.5 . . ?
H11I C118 H11J 109.5 . . ?
C117 C118 H11K 109.5 . . ?
H11I C118 H11K 109.5 . . ?
H11J C118 H11K 109.5 . . ?
C117 C119 H11L 109.5 . . ?
C117 C119 H11M 109.5 . . ?
H11L C119 H11M 109.5 . . ?
C117 C119 H11N 109.5 . . ?
H11L C119 H11N 109.5 . . ?
H11M C119 H11N 109.5 . . ?
C110 C120 P12 113.1(5) . . ?
C110 C120 H12A 109.0 . . ?
P12 C120 H12A 109.0 . . ?
C110 C120 H12B 109.0 . . ?
P12 C120 H12B 109.0 . . ?
H12A C120 H12B 107.8 . . ?
O15 C121 C122 110.6(9) . . ?
O15 C121 C123 106.0(12) . . ?
C122 C121 C123 106.9(10) . . ?
O15 C121 H121 111.1 . . ?
C122 C121 H121 111.1 . . ?
C123 C121 H121 111.1 . . ?
C121 C122 H12C 109.5 . . ?
C121 C122 H12D 109.5 . . ?
H12C C122 H12D 109.5 . . ?
C121 C122 H12E 109.5 . . ?
H12C C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C121 C123 H12F 109.5 . . ?
C121 C123 H12G 109.5 . . ?
H12F C123 H12G 109.5 . . ?
C121 C123 H12H 109.5 . . ?
H12F C123 H12H 109.5 . . ?
H12G C123 H12H 109.5 . . ?
O16 C124 C126 109.1(6) . . ?
O16 C124 C125 106.5(6) . . ?
C126 C124 C125 113.2(7) . . ?
O16 C124 H124 109.3 . . ?
C126 C124 H124 109.3 . . ?
C125 C124 H124 109.3 . . ?
C124 C125 H12I 109.5 . . ?
C124 C125 H12J 109.5 . . ?
H12I C125 H12J 109.5 . . ?
C124 C125 H12K 109.5 . . ?
H12I C125 H12K 109.5 . . ?
H12J C125 H12K 109.5 . . ?
C124 C126 H12L 109.5 . . ?
C124 C126 H12M 109.5 . . ?
H12L C126 H12M 109.5 . . ?
C124 C126 H12N 109.5 . . ?
H12L C126 H12N 109.5 . . ?
H12M C126 H12N 109.5 . . ?
C28 C210 H21A 109.5 . . ?
C28 C210 H21B 109.5 . . ?
H21A C210 H21B 109.5 . . ?
C28 C210 H21C 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
O23 C211 C212 107.8(6) . . ?
O23 C211 C213 107.4(6) . . ?
C212 C211 C213 113.6(6) . . ?
O23 C211 H211 109.3 . . ?
C212 C211 H211 109.3 . . ?
C213 C211 H211 109.3 . . ?
C211 C212 H21D 109.5 . . ?
C211 C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
C211 C212 H21F 109.5 . . ?
H21D C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C211 C213 H21G 109.5 . . ?
C211 C213 H21H 109.5 . . ?
H21G C213 H21H 109.5 . . ?
C211 C213 H21I 109.5 . . ?
H21G C213 H21I 109.5 . . ?
H21H C213 H21I 109.5 . . ?

_refine_diff_density_max         1.110
_refine_diff_density_min         -1.750
_refine_diff_density_rms         0.122

