# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2022

####################################################################### 
# 
# 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_292_auto
_database_code_depnum_ccdc_archive 'CCDC 2181172'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2022-06-22 deposited with the CCDC.	2022-11-15 downloaded from the CCDC.
;
_audit_creation_date             2022-04-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C92 H138 Dy2 O14 P2'
_chemical_formula_sum            'C92 H138 Dy2 O14 P2'
_chemical_formula_weight         1854.96
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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'

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

_cell_length_a                   13.1963(6)
_cell_length_b                   13.9250(7)
_cell_length_c                   15.1757(5)
_cell_angle_alpha                85.183(3)
_cell_angle_beta                 86.395(3)
_cell_angle_gamma                62.322(5)
_cell_volume                     2459.9(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9111
_cell_measurement_temperature    298
_cell_measurement_theta_max      27.3760
_cell_measurement_theta_min      3.5300
_shelx_estimated_absorpt_T_max   0.857
_shelx_estimated_absorpt_T_min   0.646
_exptl_absorpt_coefficient_mu    1.594
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.1003
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.832
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21198
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.832
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.354
_diffrn_reflns_theta_min         3.074
_diffrn_ambient_temperature      298
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.832
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -1.00  82.00   1.00   10.97    --   16.76  38.00  90.00   83
  2  ω    -10.00  29.00   1.00   10.97    --   16.76  77.00 -90.00   39
  3  ω    -10.00  39.00   1.00   10.97    --   16.76  77.00  30.00   49
  4  ω     -7.00  26.00   1.00   10.97    --   16.76  77.00 150.00   33
  5  ω    -44.00  33.00   1.00   10.97    --   16.76 -57.00 -90.00   77
  6  ω    -29.00  -3.00   1.00   10.97    --   16.76 -77.00-120.00   26
  7  ω    -46.00  33.00   1.00   10.97    --   16.76 -57.00 150.00   79
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0283098000
_diffrn_orient_matrix_UB_12      -0.0326514000
_diffrn_orient_matrix_UB_13      0.0005654000
_diffrn_orient_matrix_UB_21      0.0535998000
_diffrn_orient_matrix_UB_22      -0.0469082000
_diffrn_orient_matrix_UB_23      -0.0041892000
_diffrn_orient_matrix_UB_31      0.0034986000
_diffrn_orient_matrix_UB_32      -0.0073958000
_diffrn_orient_matrix_UB_33      0.0467312000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7274
_reflns_number_total             11255
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.866
_refine_diff_density_min         -0.731
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         11255
_refine_ls_number_restraints     468
_refine_ls_R_factor_all          0.0921
_refine_ls_R_factor_gt           0.0487
_refine_ls_restrained_S_all      0.924
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0283P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0805
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C22A-C21 \\sim C22-C21 \\sim C24A-C21 \\sim C24-C21 \\sim C23A-C21 \\sim
C23-C21
 with sigma of 0.02
 C40-C37 \\sim C40A-C37 \\sim C38-C37 \\sim C38A-C37 \\sim C39-C37 \\sim
C39A-C37
 with sigma of 0.02
 C45-C43 \\sim C45A-C43 \\sim C46-C43 \\sim C46A-C43 \\sim C44-C43 \\sim
C44A-C43
 with sigma of 0.02
 C33-C32 \\sim C34A-C32 \\sim C34-C32 \\sim C35A-C32 \\sim C35-C32 \\sim
C33A-C32
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C32 \\sim C35 \\sim C33 \\sim C34 \\sim C33A \\sim C35A \\sim C34A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C37 \\sim C38 \\sim C39 \\sim C40 \\sim C40A \\sim C39A \\sim C38A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C43 \\sim C44A \\sim C44 \\sim C46A \\sim C46 \\sim C45A \\sim C45: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C21 \\sim C23 \\sim C22 \\sim C24 \\sim C23A \\sim C24A \\sim C22A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
4. Rigid body (RIGU) restrains
 C34, C35, C32, C33
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C35A, C34A, C33A, C32
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C38A, C39A, C37, C40A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C37, C39, C40, C38
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C45A, C46A, C44A, C43
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C45, C46, C43, C44
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C23A, C21, C24A, C22A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C23, C24, C21, C22
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
5. Others
 Sof(C33A)=Sof(H33D)=Sof(H33E)=Sof(H33F)=Sof(C35A)=Sof(H35D)=Sof(H35E)=
 Sof(H35F)=Sof(C34A)=Sof(H34D)=Sof(H34E)=Sof(H34F)=1-FVAR(1)
 Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(H34C)=FVAR(1)
 Sof(C40A)=Sof(H40D)=Sof(H40E)=Sof(H40F)=Sof(C39A)=Sof(H39D)=Sof(H39E)=
 Sof(H39F)=Sof(C38A)=Sof(H38D)=Sof(H38E)=Sof(H38F)=1-FVAR(2)
 Sof(C38)=Sof(H38A)=Sof(H38B)=Sof(H38C)=Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(H39C)=
 Sof(C40)=Sof(H40A)=Sof(H40B)=Sof(H40C)=FVAR(2)
 Sof(C46A)=Sof(H46D)=Sof(H46E)=Sof(H46F)=Sof(C44A)=Sof(H44D)=Sof(H44E)=
 Sof(H44F)=Sof(C45A)=Sof(H45D)=Sof(H45E)=Sof(H45F)=1-FVAR(3)
 Sof(C46)=Sof(H46A)=Sof(H46B)=Sof(H46C)=Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(H45C)=
 Sof(C44)=Sof(H44A)=Sof(H44B)=Sof(H44C)=FVAR(3)
 Sof(C23A)=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C24A)=Sof(H24D)=Sof(H24E)=
 Sof(H24F)=Sof(C22A)=Sof(H22D)=Sof(H22E)=Sof(H22F)=1-FVAR(4)
 Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(H22C)=
 Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=FVAR(4)
6.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
6.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C3(H3), C4(H4), C5(H5),
 C6(H6), C7(H7), C30(H30), C19(H19), C41(H41)
6.c Fitted hexagon refined as free rotating group:
 C8(C9,C10,C11,C12,C13), C2(C3,C4,C5,C6,C7)
6.d Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C27(H27A,H27B,H27C), C29(H29A,H29B,H29C), C16(H16A,H16B,
 H16C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C46(H46A,H46B,H46C), C23(H23A,
 H23B,H23C), C18(H18A,H18B,H18C), C45(H45A,H45B,H45C), C22(H22A,H22B,H22C),
 C40(H40A,H40B,H40C), C44(H44A,H44B,H44C), C17(H17A,H17B,H17C), C35(H35A,H35B,
 H35C), C24(H24A,H24B,H24C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C),
 C33A(H33D,H33E,H33F), C35A(H35D,H35E,H35F), C34A(H34D,H34E,H34F), C40A(H40D,
 H40E,H40F), C39A(H39D,H39E,H39F), C38A(H38D,H38E,H38F), C46A(H46D,H46E,H46F),
 C44A(H44D,H44E,H44F), C45A(H45D,H45E,H45F), C23A(H23D,H23E,H23F), C24A(H24D,
 H24E,H24F), C22A(H22D,H22E,H22F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.35251(2) 0.67907(2) 0.74414(2) 0.04301(7) Uani 1 1 d . . . . .
P1 P 0.32317(9) 0.62649(8) 0.51086(6) 0.0408(3) Uani 1 1 d . . . . .
O7 O 0.4900(2) 0.7090(2) 0.66110(17) 0.0565(8) Uani 1 1 d . . . . .
O6 O 0.5281(2) 0.5548(2) 0.79619(17) 0.0538(7) Uani 1 1 d . . . . .
O5 O 0.3718(2) 0.7798(2) 0.84399(17) 0.0556(8) Uani 1 1 d . . . . .
O1 O 0.3205(2) 0.6536(2) 0.60340(16) 0.0542(7) Uani 1 1 d . . . . .
O2 O 0.3274(2) 0.5254(2) 0.76601(17) 0.0525(7) Uani 1 1 d . . . . .
O4 O 0.2391(3) 0.8564(2) 0.69446(17) 0.0646(9) Uani 1 1 d . . . . .
O3 O 0.1850(3) 0.7244(2) 0.8214(2) 0.0752(9) Uani 1 1 d . . . . .
C8 C 0.3297(3) 0.7279(2) 0.43525(18) 0.0478(10) Uani 1 1 d G . . . .
C9 C 0.3351(3) 0.7188(3) 0.3444(2) 0.102(2) Uani 1 1 d G . . . .
H9 H 0.338306 0.657174 0.322043 0.122 Uiso 1 1 calc R U . . .
C10 C 0.3356(3) 0.8016(3) 0.28687(16) 0.118(2) Uani 1 1 d G . . . .
H10 H 0.339258 0.795526 0.226061 0.142 Uiso 1 1 calc R U . . .
C11 C 0.3308(3) 0.8937(3) 0.3202(2) 0.100(2) Uani 1 1 d G . . . .
H11 H 0.331202 0.949136 0.281762 0.120 Uiso 1 1 calc R U . . .
C12 C 0.3254(4) 0.9028(2) 0.4111(3) 0.132(3) Uani 1 1 d G . . . .
H12 H 0.322193 0.964395 0.433446 0.158 Uiso 1 1 calc R U . . .
C13 C 0.3249(3) 0.8199(3) 0.46863(17) 0.098(2) Uani 1 1 d G . . . .
H13 H 0.321242 0.826043 0.529430 0.117 Uiso 1 1 calc R U . . .
C1 C 0.4442(3) 0.5000(3) 0.4884(3) 0.0470(10) Uani 1 1 d . . . . .
H1A H 0.436745 0.441546 0.522686 0.056 Uiso 1 1 calc R U . . .
H1B H 0.446722 0.487371 0.426219 0.056 Uiso 1 1 calc R U . . .
C2 C 0.1985(2) 0.6157(2) 0.48878(18) 0.0418(10) Uani 1 1 d G . . . .
C3 C 0.1908(2) 0.5665(2) 0.41518(17) 0.0605(12) Uani 1 1 d G . . . .
H3 H 0.253810 0.534565 0.376921 0.073 Uiso 1 1 calc R U . . .
C4 C 0.0891(3) 0.5652(2) 0.3988(2) 0.0789(16) Uani 1 1 d G . . . .
H4 H 0.083937 0.532363 0.349513 0.095 Uiso 1 1 calc R U . . .
C5 C -0.0051(2) 0.6130(3) 0.4559(3) 0.0823(17) Uani 1 1 d G . . . .
H5 H -0.073158 0.612134 0.444946 0.099 Uiso 1 1 calc R U . . .
C6 C 0.0026(2) 0.6621(3) 0.5295(2) 0.0881(17) Uani 1 1 d G . . . .
H6 H -0.060383 0.694108 0.567788 0.106 Uiso 1 1 calc R U . . .
C7 C 0.1044(3) 0.6635(2) 0.54595(16) 0.0693(13) Uani 1 1 d G . . . .
H7 H 0.109490 0.696310 0.595197 0.083 Uiso 1 1 calc R U . . .
C25 C 0.5808(4) 0.7066(3) 0.6866(3) 0.0529(11) Uani 1 1 d . . . . .
C30 C 0.6449(4) 0.6374(3) 0.7556(3) 0.0528(11) Uani 1 1 d . . . . .
H30 H 0.710538 0.641030 0.769733 0.063 Uiso 1 1 calc R U . . .
C20 C 0.3249(4) 0.8794(4) 0.8588(3) 0.0571(12) Uani 1 1 d . . . . .
C31 C 0.6185(4) 0.5632(3) 0.8050(3) 0.0504(11) Uani 1 1 d . . . . .
C19 C 0.2409(4) 0.9604(4) 0.8071(3) 0.0728(15) Uani 1 1 d . . . . .
H19 H 0.208081 1.030557 0.826369 0.087 Uiso 1 1 calc R U . . .
C14 C 0.2016(4) 0.9461(4) 0.7291(3) 0.0647(13) Uani 1 1 d . . . . .
C36 C 0.2473(4) 0.5042(4) 0.7885(3) 0.0529(11) Uani 1 1 d . . . . .
C26 C 0.6154(4) 0.7862(4) 0.6351(3) 0.0629(12) Uani 1 1 d . . . . .
C37 C 0.2683(5) 0.3888(4) 0.7762(3) 0.0712(14) Uani 1 1 d D U . . .
C32 C 0.6997(4) 0.4853(4) 0.8759(3) 0.0650(13) Uani 1 1 d D U . . .
C41 C 0.1428(4) 0.5803(4) 0.8243(3) 0.0652(13) Uani 1 1 d . . . . .
H41 H 0.087032 0.558050 0.838666 0.078 Uiso 1 1 calc R U . . .
C42 C 0.1163(4) 0.6864(4) 0.8399(3) 0.0650(13) Uani 1 1 d . . . . .
C21 C 0.3669(5) 0.9060(4) 0.9406(3) 0.0826(16) Uani 1 1 d D U . . .
C15 C 0.1124(6) 1.0463(4) 0.6758(4) 0.098(2) Uani 1 1 d . . . . .
C43 C 0.0015(4) 0.7641(5) 0.8807(4) 0.0859(16) Uani 1 1 d D U . . .
C28 C 0.6452(5) 0.7506(5) 0.5393(3) 0.111(2) Uani 1 1 d . . . . .
H28A H 0.708152 0.678561 0.539451 0.167 Uiso 1 1 calc R U . . .
H28B H 0.666034 0.799907 0.504650 0.167 Uiso 1 1 calc R U . . .
H28C H 0.579916 0.751014 0.514308 0.167 Uiso 1 1 calc R U . . .
C27 C 0.5127(5) 0.8989(4) 0.6353(4) 0.0996(19) Uani 1 1 d . . . . .
H27A H 0.446495 0.895526 0.616197 0.149 Uiso 1 1 calc R U . . .
H27B H 0.528286 0.948301 0.595784 0.149 Uiso 1 1 calc R U . . .
H27C H 0.498620 0.923881 0.694045 0.149 Uiso 1 1 calc R U . . .
C29 C 0.7181(4) 0.7898(4) 0.6730(4) 0.0993(19) Uani 1 1 d . . . . .
H29A H 0.698901 0.815024 0.731654 0.149 Uiso 1 1 calc R U . . .
H29B H 0.737915 0.838338 0.636052 0.149 Uiso 1 1 calc R U . . .
H29C H 0.781983 0.718284 0.675081 0.149 Uiso 1 1 calc R U . . .
C16 C 0.0510(6) 1.0129(5) 0.6139(4) 0.158(3) Uani 1 1 d . . . . .
H16A H 0.105488 0.963583 0.573476 0.237 Uiso 1 1 calc R U . . .
H16B H -0.003755 1.076046 0.581388 0.237 Uiso 1 1 calc R U . . .
H16C H 0.012164 0.977657 0.647555 0.237 Uiso 1 1 calc R U . . .
C38 C 0.3125(8) 0.3620(6) 0.6811(4) 0.095(2) Uani 0.803(7) 1 d D U P A 1
H38A H 0.256912 0.413281 0.640579 0.143 Uiso 0.803(7) 1 calc R U P A 1
H38B H 0.325095 0.290001 0.671324 0.143 Uiso 0.803(7) 1 calc R U P A 1
H38C H 0.383130 0.365917 0.671650 0.143 Uiso 0.803(7) 1 calc R U P A 1
C39 C 0.3619(8) 0.3143(6) 0.8387(5) 0.102(3) Uani 0.803(7) 1 d D U P A 1
H39A H 0.427126 0.327245 0.828509 0.154 Uiso 0.803(7) 1 calc R U P A 1
H39B H 0.383453 0.240024 0.828502 0.154 Uiso 0.803(7) 1 calc R U P A 1
H39C H 0.334282 0.328273 0.898682 0.154 Uiso 0.803(7) 1 calc R U P A 1
C46 C -0.0598(13) 0.8569(12) 0.8123(10) 0.116(5) Uani 0.68(3) 1 d D U P B 1
H46A H -0.013021 0.891863 0.795410 0.175 Uiso 0.68(3) 1 calc R U P B 1
H46B H -0.131408 0.908598 0.837106 0.175 Uiso 0.68(3) 1 calc R U P B 1
H46C H -0.073635 0.828917 0.761201 0.175 Uiso 0.68(3) 1 calc R U P B 1
C23 C 0.335(4) 1.0267(13) 0.933(2) 0.100(7) Uani 0.385(18) 1 d D U P C 1
H23A H 0.379547 1.040612 0.886479 0.150 Uiso 0.385(18) 1 calc R U P C 1
H23B H 0.350128 1.046777 0.988213 0.150 Uiso 0.385(18) 1 calc R U P C 1
H23C H 0.255068 1.068591 0.921110 0.150 Uiso 0.385(18) 1 calc R U P C 1
C18 C 0.0263(6) 1.1303(5) 0.7342(5) 0.168(4) Uani 1 1 d . . . . .
H18A H -0.014220 1.098955 0.770722 0.251 Uiso 1 1 calc R U . . .
H18B H -0.026892 1.190681 0.698256 0.251 Uiso 1 1 calc R U . . .
H18C H 0.065102 1.154785 0.771092 0.251 Uiso 1 1 calc R U . . .
C45 C 0.0279(11) 0.8073(14) 0.9607(9) 0.109(5) Uani 0.68(3) 1 d D U P B 1
H45A H 0.073240 0.747582 1.000996 0.164 Uiso 0.68(3) 1 calc R U P B 1
H45B H -0.042440 0.854672 0.989950 0.164 Uiso 0.68(3) 1 calc R U P B 1
H45C H 0.069421 0.846823 0.941557 0.164 Uiso 0.68(3) 1 calc R U P B 1
C22 C 0.4907(14) 0.830(2) 0.9570(17) 0.115(6) Uani 0.385(18) 1 d D U P C 1
H22A H 0.503292 0.756628 0.959108 0.173 Uiso 0.385(18) 1 calc R U P C 1
H22B H 0.511053 0.844582 1.012388 0.173 Uiso 0.385(18) 1 calc R U P C 1
H22C H 0.537130 0.841728 0.910154 0.173 Uiso 0.385(18) 1 calc R U P C 1
C40 C 0.1618(7) 0.3709(7) 0.7943(7) 0.126(3) Uani 0.803(7) 1 d D U P A 1
H40A H 0.139802 0.378807 0.855857 0.189 Uiso 0.803(7) 1 calc R U P A 1
H40B H 0.179300 0.299074 0.779285 0.189 Uiso 0.803(7) 1 calc R U P A 1
H40C H 0.099956 0.423497 0.759142 0.189 Uiso 0.803(7) 1 calc R U P A 1
C44 C -0.0782(12) 0.7133(12) 0.9058(15) 0.130(5) Uani 0.68(3) 1 d D U P B 1
H44A H -0.092739 0.686772 0.854204 0.195 Uiso 0.68(3) 1 calc R U P B 1
H44B H -0.149115 0.767177 0.929796 0.195 Uiso 0.68(3) 1 calc R U P B 1
H44C H -0.042604 0.654218 0.949303 0.195 Uiso 0.68(3) 1 calc R U P B 1
C17 C 0.1825(7) 1.0956(5) 0.6207(5) 0.175(4) Uani 1 1 d . . . . .
H17A H 0.216806 1.122138 0.659879 0.262 Uiso 1 1 calc R U . . .
H17B H 0.132588 1.154360 0.581689 0.262 Uiso 1 1 calc R U . . .
H17C H 0.241390 1.040580 0.586561 0.262 Uiso 1 1 calc R U . . .
C35 C 0.6288(8) 0.4947(9) 0.9620(5) 0.107(3) Uani 0.659(7) 1 d D U P D 1
H35A H 0.597770 0.567325 0.980959 0.160 Uiso 0.659(7) 1 calc R U P D 1
H35B H 0.676957 0.444307 1.006972 0.160 Uiso 0.659(7) 1 calc R U P D 1
H35C H 0.567502 0.478475 0.951905 0.160 Uiso 0.659(7) 1 calc R U P D 1
C24 C 0.288(2) 0.895(2) 1.0161(10) 0.109(6) Uani 0.385(18) 1 d D U P C 1
H24A H 0.210006 0.948683 1.005740 0.163 Uiso 0.385(18) 1 calc R U P C 1
H24B H 0.310978 0.905433 1.071588 0.163 Uiso 0.385(18) 1 calc R U P C 1
H24C H 0.292597 0.823757 1.017735 0.163 Uiso 0.385(18) 1 calc R U P C 1
C33 C 0.7911(9) 0.5164(9) 0.9007(7) 0.103(3) Uani 0.659(7) 1 d D U P D 1
H33A H 0.849377 0.497544 0.854719 0.155 Uiso 0.659(7) 1 calc R U P D 1
H33B H 0.824803 0.477851 0.955240 0.155 Uiso 0.659(7) 1 calc R U P D 1
H33C H 0.756399 0.593145 0.907511 0.155 Uiso 0.659(7) 1 calc R U P D 1
C34 C 0.7503(10) 0.3723(6) 0.8454(7) 0.110(4) Uani 0.659(7) 1 d D U P D 1
H34A H 0.690045 0.354387 0.835822 0.164 Uiso 0.659(7) 1 calc R U P D 1
H34B H 0.799954 0.322081 0.889770 0.164 Uiso 0.659(7) 1 calc R U P D 1
H34C H 0.793395 0.368049 0.791228 0.164 Uiso 0.659(7) 1 calc R U P D 1
C33A C 0.688(2) 0.5443(14) 0.9551(10) 0.108(5) Uani 0.341(7) 1 d D U P D 2
H33D H 0.721062 0.593027 0.942562 0.162 Uiso 0.341(7) 1 calc R U P D 2
H33E H 0.727831 0.493345 1.003013 0.162 Uiso 0.341(7) 1 calc R U P D 2
H33F H 0.608851 0.585092 0.971277 0.162 Uiso 0.341(7) 1 calc R U P D 2
C35A C 0.6766(17) 0.3891(13) 0.8978(13) 0.088(5) Uani 0.341(7) 1 d D U P D 2
H35D H 0.597788 0.414459 0.915946 0.132 Uiso 0.341(7) 1 calc R U P D 2
H35E H 0.724784 0.343741 0.944861 0.132 Uiso 0.341(7) 1 calc R U P D 2
H35F H 0.692585 0.347953 0.846423 0.132 Uiso 0.341(7) 1 calc R U P D 2
C34A C 0.8255(10) 0.4379(17) 0.8411(12) 0.101(5) Uani 0.341(7) 1 d D U P D 2
H34D H 0.832280 0.407334 0.785260 0.151 Uiso 0.341(7) 1 calc R U P D 2
H34E H 0.874346 0.382255 0.882799 0.151 Uiso 0.341(7) 1 calc R U P D 2
H34F H 0.847812 0.494644 0.833564 0.151 Uiso 0.341(7) 1 calc R U P D 2
C40A C 0.213(3) 0.392(2) 0.6914(16) 0.100(6) Uani 0.197(7) 1 d D U P A 2
H40D H 0.131266 0.422320 0.701291 0.149 Uiso 0.197(7) 1 calc R U P A 2
H40E H 0.242043 0.319629 0.672340 0.149 Uiso 0.197(7) 1 calc R U P A 2
H40F H 0.228940 0.436168 0.646568 0.149 Uiso 0.197(7) 1 calc R U P A 2
C39A C 0.236(3) 0.338(2) 0.8597(15) 0.105(6) Uani 0.197(7) 1 d D U P A 2
H39D H 0.277611 0.338712 0.908754 0.157 Uiso 0.197(7) 1 calc R U P A 2
H39E H 0.253530 0.264347 0.850237 0.157 Uiso 0.197(7) 1 calc R U P A 2
H39F H 0.154973 0.378978 0.872269 0.157 Uiso 0.197(7) 1 calc R U P A 2
C38A C 0.3963(14) 0.315(2) 0.777(2) 0.102(6) Uani 0.197(7) 1 d D U P A 2
H38D H 0.426047 0.305157 0.716837 0.153 Uiso 0.197(7) 1 calc R U P A 2
H38E H 0.411431 0.245999 0.805566 0.153 Uiso 0.197(7) 1 calc R U P A 2
H38F H 0.432653 0.347591 0.807692 0.153 Uiso 0.197(7) 1 calc R U P A 2
C46A C -0.073(3) 0.811(3) 0.8015(17) 0.121(9) Uani 0.32(3) 1 d D U P B 2
H46D H -0.033985 0.833700 0.755577 0.181 Uiso 0.32(3) 1 calc R U P B 2
H46E H -0.143279 0.872636 0.817930 0.181 Uiso 0.32(3) 1 calc R U P B 2
H46F H -0.090047 0.757115 0.780485 0.181 Uiso 0.32(3) 1 calc R U P B 2
C44A C -0.043(3) 0.707(2) 0.952(2) 0.113(7) Uani 0.32(3) 1 d D U P B 2
H44D H -0.038266 0.642167 0.929791 0.170 Uiso 0.32(3) 1 calc R U P B 2
H44E H -0.121208 0.754590 0.967578 0.170 Uiso 0.32(3) 1 calc R U P B 2
H44F H 0.002783 0.687324 1.003685 0.170 Uiso 0.32(3) 1 calc R U P B 2
C45A C 0.011(3) 0.853(2) 0.926(2) 0.109(6) Uani 0.32(3) 1 d D U P B 2
H45D H 0.079733 0.821623 0.959075 0.163 Uiso 0.32(3) 1 calc R U P B 2
H45E H -0.054129 0.886575 0.965865 0.163 Uiso 0.32(3) 1 calc R U P B 2
H45F H 0.011952 0.906295 0.882615 0.163 Uiso 0.32(3) 1 calc R U P B 2
C23A C 0.309(2) 1.0249(9) 0.9633(13) 0.108(6) Uani 0.615(18) 1 d D U P C 2
H23D H 0.324072 1.067738 0.916257 0.162 Uiso 0.615(18) 1 calc R U P C 2
H23E H 0.339544 1.031350 1.017192 0.162 Uiso 0.615(18) 1 calc R U P C 2
H23F H 0.228313 1.050426 0.970779 0.162 Uiso 0.615(18) 1 calc R U P C 2
C24A C 0.3607(17) 0.8344(13) 1.0189(6) 0.105(4) Uani 0.615(18) 1 d D U P C 2
H24D H 0.282129 0.852741 1.032963 0.158 Uiso 0.615(18) 1 calc R U P C 2
H24E H 0.394565 0.845244 1.068874 0.158 Uiso 0.615(18) 1 calc R U P C 2
H24F H 0.401544 0.759650 1.004750 0.158 Uiso 0.615(18) 1 calc R U P C 2
C22A C 0.4948(8) 0.8702(13) 0.9207(11) 0.100(4) Uani 0.615(18) 1 d D U P C 2
H22D H 0.530479 0.798494 0.899506 0.150 Uiso 0.615(18) 1 calc R U P C 2
H22E H 0.530819 0.870021 0.973827 0.150 Uiso 0.615(18) 1 calc R U P C 2
H22F H 0.502848 0.919915 0.876520 0.150 Uiso 0.615(18) 1 calc R U P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O7 2.320(3) . ?
Dy1 O6 2.294(3) . ?
Dy1 O5 2.251(2) . ?
Dy1 O1 2.290(2) . ?
Dy1 O2 2.308(3) . ?
Dy1 O4 2.302(3) . ?
Dy1 O3 2.272(3) . ?
P1 O1 1.479(2) . ?
P1 C8 1.774(2) . ?
P1 C1 1.785(4) . ?
P1 C2 1.775(2) . ?
O7 C25 1.267(4) . ?
O6 C31 1.267(4) . ?
O5 C20 1.263(4) . ?
O2 C36 1.243(5) . ?
O4 C14 1.259(5) . ?
O3 C42 1.252(5) . ?
C8 C9 1.3900 . ?
C8 C13 1.3900 . ?
C9 H9 0.9300 . ?
C9 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C12 1.3900 . ?
C12 H12 0.9300 . ?
C12 C13 1.3900 . ?
C13 H13 0.9300 . ?
C1 C1 1.535(7) 2_666 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 H3 0.9300 . ?
C3 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 H7 0.9300 . ?
C25 C30 1.387(5) . ?
C25 C26 1.526(5) . ?
C30 H30 0.9300 . ?
C30 C31 1.387(5) . ?
C20 C19 1.384(5) . ?
C20 C21 1.529(6) . ?
C31 C32 1.533(5) . ?
C19 H19 0.9300 . ?
C19 C14 1.388(6) . ?
C14 C15 1.546(6) . ?
C36 C37 1.524(6) . ?
C36 C41 1.402(6) . ?
C26 C28 1.543(6) . ?
C26 C27 1.524(6) . ?
C26 C29 1.529(6) . ?
C37 C38 1.532(7) . ?
C37 C39 1.514(7) . ?
C37 C40 1.543(7) . ?
C37 C40A 1.510(14) . ?
C37 C39A 1.536(14) . ?
C37 C38A 1.515(15) . ?
C32 C35 1.537(8) . ?
C32 C33 1.534(8) . ?
C32 C34 1.497(8) . ?
C32 C33A 1.474(12) . ?
C32 C35A 1.514(12) . ?
C32 C34A 1.549(12) . ?
C41 H41 0.9300 . ?
C41 C42 1.390(6) . ?
C42 C43 1.524(6) . ?
C21 C23 1.527(13) . ?
C21 C22 1.500(13) . ?
C21 C24 1.550(12) . ?
C21 C23A 1.528(10) . ?
C21 C24A 1.509(9) . ?
C21 C22A 1.538(10) . ?
C15 C16 1.508(7) . ?
C15 C18 1.503(8) . ?
C15 C17 1.556(9) . ?
C43 C46 1.520(9) . ?
C43 C45 1.526(8) . ?
C43 C44 1.531(9) . ?
C43 C46A 1.504(14) . ?
C43 C44A 1.540(14) . ?
C43 C45A 1.520(14) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C33A H33D 0.9600 . ?
C33A H33E 0.9600 . ?
C33A H33F 0.9600 . ?
C35A H35D 0.9600 . ?
C35A H35E 0.9600 . ?
C35A H35F 0.9600 . ?
C34A H34D 0.9600 . ?
C34A H34E 0.9600 . ?
C34A H34F 0.9600 . ?
C40A H40D 0.9600 . ?
C40A H40E 0.9600 . ?
C40A H40F 0.9600 . ?
C39A H39D 0.9600 . ?
C39A H39E 0.9600 . ?
C39A H39F 0.9600 . ?
C38A H38D 0.9600 . ?
C38A H38E 0.9600 . ?
C38A H38F 0.9600 . ?
C46A H46D 0.9600 . ?
C46A H46E 0.9600 . ?
C46A H46F 0.9600 . ?
C44A H44D 0.9600 . ?
C44A H44E 0.9600 . ?
C44A H44F 0.9600 . ?
C45A H45D 0.9600 . ?
C45A H45E 0.9600 . ?
C45A H45F 0.9600 . ?
C23A H23D 0.9600 . ?
C23A H23E 0.9600 . ?
C23A H23F 0.9600 . ?
C24A H24D 0.9600 . ?
C24A H24E 0.9600 . ?
C24A H24F 0.9600 . ?
C22A H22D 0.9600 . ?
C22A H22E 0.9600 . ?
C22A H22F 0.9600 . ?

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
O6 Dy1 O7 72.55(9) . . ?
O6 Dy1 O2 79.10(9) . . ?
O6 Dy1 O4 146.14(10) . . ?
O5 Dy1 O7 85.32(10) . . ?
O5 Dy1 O6 81.40(9) . . ?
O5 Dy1 O1 151.48(9) . . ?
O5 Dy1 O2 129.61(10) . . ?
O5 Dy1 O4 75.17(9) . . ?
O5 Dy1 O3 81.45(11) . . ?
O1 Dy1 O7 77.51(9) . . ?
O1 Dy1 O6 114.04(10) . . ?
O1 Dy1 O2 78.28(9) . . ?
O1 Dy1 O4 79.84(9) . . ?
O2 Dy1 O7 130.51(10) . . ?
O4 Dy1 O7 81.40(10) . . ?
O4 Dy1 O2 134.76(10) . . ?
O3 Dy1 O7 156.66(10) . . ?
O3 Dy1 O6 123.78(11) . . ?
O3 Dy1 O1 106.03(11) . . ?
O3 Dy1 O2 72.13(10) . . ?
O3 Dy1 O4 76.68(11) . . ?
O1 P1 C8 111.20(15) . . ?
O1 P1 C1 111.51(16) . . ?
O1 P1 C2 110.72(16) . . ?
C8 P1 C1 107.81(18) . . ?
C8 P1 C2 107.82(14) . . ?
C2 P1 C1 107.61(15) . . ?
C25 O7 Dy1 128.8(3) . . ?
C31 O6 Dy1 130.9(2) . . ?
C20 O5 Dy1 135.8(3) . . ?
P1 O1 Dy1 169.39(18) . . ?
C36 O2 Dy1 136.8(3) . . ?
C14 O4 Dy1 133.5(3) . . ?
C42 O3 Dy1 138.6(3) . . ?
C9 C8 P1 121.46(19) . . ?
C9 C8 C13 120.0 . . ?
C13 C8 P1 118.50(19) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0 . . ?
C13 C12 H12 120.0 . . ?
C8 C13 H13 120.0 . . ?
C12 C13 C8 120.0 . . ?
C12 C13 H13 120.0 . . ?
P1 C1 H1A 109.4 . . ?
P1 C1 H1B 109.4 . . ?
C1 C1 P1 111.0(3) 2_666 . ?
C1 C1 H1A 109.4 2_666 . ?
C1 C1 H1B 109.4 2_666 . ?
H1A C1 H1B 108.0 . . ?
C3 C2 P1 122.47(18) . . ?
C3 C2 C7 120.0 . . ?
C7 C2 P1 117.45(18) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 H6 120.0 . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 H7 120.0 . . ?
O7 C25 C30 123.3(4) . . ?
O7 C25 C26 114.6(4) . . ?
C30 C25 C26 122.0(4) . . ?
C25 C30 H30 117.5 . . ?
C25 C30 C31 125.0(4) . . ?
C31 C30 H30 117.5 . . ?
O5 C20 C19 124.2(4) . . ?
O5 C20 C21 114.8(4) . . ?
C19 C20 C21 121.0(4) . . ?
O6 C31 C30 123.8(4) . . ?
O6 C31 C32 115.7(4) . . ?
C30 C31 C32 120.5(4) . . ?
C20 C19 H19 117.2 . . ?
C20 C19 C14 125.6(4) . . ?
C14 C19 H19 117.2 . . ?
O4 C14 C19 124.3(4) . . ?
O4 C14 C15 116.2(4) . . ?
C19 C14 C15 119.4(4) . . ?
O2 C36 C37 116.5(4) . . ?
O2 C36 C41 123.1(4) . . ?
C41 C36 C37 120.5(4) . . ?
C25 C26 C28 107.3(4) . . ?
C25 C26 C29 113.5(4) . . ?
C27 C26 C25 108.0(4) . . ?
C27 C26 C28 109.5(4) . . ?
C27 C26 C29 109.4(4) . . ?
C29 C26 C28 109.1(4) . . ?
C36 C37 C38 107.9(4) . . ?
C36 C37 C40 114.2(5) . . ?
C36 C37 C39A 112.1(12) . . ?
C38 C37 C40 109.5(5) . . ?
C39 C37 C36 106.8(4) . . ?
C39 C37 C38 108.6(5) . . ?
C39 C37 C40 109.7(6) . . ?
C40A C37 C36 107.1(11) . . ?
C40A C37 C39A 117.0(18) . . ?
C40A C37 C38A 114.2(19) . . ?
C38A C37 C36 108.1(13) . . ?
C38A C37 C39A 97.9(18) . . ?
C31 C32 C35 107.6(5) . . ?
C31 C32 C33 113.8(4) . . ?
C31 C32 C34A 110.4(7) . . ?
C33 C32 C35 103.9(6) . . ?
C34 C32 C31 108.3(4) . . ?
C34 C32 C35 110.5(7) . . ?
C34 C32 C33 112.6(7) . . ?
C33A C32 C31 109.6(7) . . ?
C33A C32 C35A 111.5(12) . . ?
C33A C32 C34A 108.4(12) . . ?
C35A C32 C31 110.7(7) . . ?
C35A C32 C34A 106.1(11) . . ?
C36 C41 H41 117.6 . . ?
C42 C41 C36 124.9(4) . . ?
C42 C41 H41 117.6 . . ?
O3 C42 C41 122.3(5) . . ?
O3 C42 C43 115.8(5) . . ?
C41 C42 C43 122.0(5) . . ?
C20 C21 C24 103.2(8) . . ?
C20 C21 C22A 104.8(7) . . ?
C23 C21 C20 108.7(14) . . ?
C23 C21 C24 104.4(14) . . ?
C22 C21 C20 112.3(11) . . ?
C22 C21 C23 115(2) . . ?
C22 C21 C24 112.0(11) . . ?
C23A C21 C20 116.8(10) . . ?
C23A C21 C22A 108.4(12) . . ?
C24A C21 C20 109.2(6) . . ?
C24A C21 C23A 110.6(9) . . ?
C24A C21 C22A 106.5(7) . . ?
C14 C15 C17 105.4(5) . . ?
C16 C15 C14 110.7(4) . . ?
C16 C15 C17 109.3(6) . . ?
C18 C15 C14 112.6(5) . . ?
C18 C15 C16 109.5(6) . . ?
C18 C15 C17 109.2(6) . . ?
C42 C43 C45 106.6(6) . . ?
C42 C43 C44 114.2(7) . . ?
C42 C43 C44A 112.4(12) . . ?
C46 C43 C42 107.7(8) . . ?
C46 C43 C45 109.8(7) . . ?
C46 C43 C44 106.8(9) . . ?
C45 C43 C44 111.6(8) . . ?
C46A C43 C42 102.7(14) . . ?
C46A C43 C44A 114.1(17) . . ?
C46A C43 C45A 110.7(14) . . ?
C45A C43 C42 111.2(12) . . ?
C45A C43 C44A 105.9(16) . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C43 C46 H46A 109.5 . . ?
C43 C46 H46B 109.5 . . ?
C43 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C33A H33D 109.5 . . ?
C32 C33A H33E 109.5 . . ?
C32 C33A H33F 109.5 . . ?
H33D C33A H33E 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
C32 C35A H35D 109.5 . . ?
C32 C35A H35E 109.5 . . ?
C32 C35A H35F 109.5 . . ?
H35D C35A H35E 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
C32 C34A H34D 109.5 . . ?
C32 C34A H34E 109.5 . . ?
C32 C34A H34F 109.5 . . ?
H34D C34A H34E 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
C37 C40A H40D 109.5 . . ?
C37 C40A H40E 109.5 . . ?
C37 C40A H40F 109.5 . . ?
H40D C40A H40E 109.5 . . ?
H40D C40A H40F 109.5 . . ?
H40E C40A H40F 109.5 . . ?
C37 C39A H39D 109.5 . . ?
C37 C39A H39E 109.5 . . ?
C37 C39A H39F 109.5 . . ?
H39D C39A H39E 109.5 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?
C37 C38A H38D 109.5 . . ?
C37 C38A H38E 109.5 . . ?
C37 C38A H38F 109.5 . . ?
H38D C38A H38E 109.5 . . ?
H38D C38A H38F 109.5 . . ?
H38E C38A H38F 109.5 . . ?
C43 C46A H46D 109.5 . . ?
C43 C46A H46E 109.5 . . ?
C43 C46A H46F 109.5 . . ?
H46D C46A H46E 109.5 . . ?
H46D C46A H46F 109.5 . . ?
H46E C46A H46F 109.5 . . ?
C43 C44A H44D 109.5 . . ?
C43 C44A H44E 109.5 . . ?
C43 C44A H44F 109.5 . . ?
H44D C44A H44E 109.5 . . ?
H44D C44A H44F 109.5 . . ?
H44E C44A H44F 109.5 . . ?
C43 C45A H45D 109.5 . . ?
C43 C45A H45E 109.5 . . ?
C43 C45A H45F 109.5 . . ?
H45D C45A H45E 109.5 . . ?
H45D C45A H45F 109.5 . . ?
H45E C45A H45F 109.5 . . ?
C21 C23A H23D 109.5 . . ?
C21 C23A H23E 109.5 . . ?
C21 C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
C21 C24A H24D 109.5 . . ?
C21 C24A H24E 109.5 . . ?
C21 C24A H24F 109.5 . . ?
H24D C24A H24E 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 109.5 . . ?
C21 C22A H22D 109.5 . . ?
C21 C22A H22E 109.5 . . ?
C21 C22A H22F 109.5 . . ?
H22D C22A H22E 109.5 . . ?
H22D C22A H22F 109.5 . . ?
H22E C22A H22F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O7 C25 C30 33.3(6) . . . . ?
Dy1 O7 C25 C26 -147.0(3) . . . . ?
Dy1 O6 C31 C30 -24.9(6) . . . . ?
Dy1 O6 C31 C32 154.6(3) . . . . ?
Dy1 O5 C20 C19 -2.3(7) . . . . ?
Dy1 O5 C20 C21 177.1(3) . . . . ?
Dy1 O2 C36 C37 168.4(3) . . . . ?
Dy1 O2 C36 C41 -12.3(7) . . . . ?
Dy1 O4 C14 C19 13.3(8) . . . . ?
Dy1 O4 C14 C15 -171.4(4) . . . . ?
Dy1 O3 C42 C41 12.1(8) . . . . ?
Dy1 O3 C42 C43 -168.0(3) . . . . ?
P1 C8 C9 C10 177.5(3) . . . . ?
P1 C8 C13 C12 -177.6(2) . . . . ?
P1 C2 C3 C4 -176.7(2) . . . . ?
P1 C2 C7 C6 176.89(19) . . . . ?
O7 C25 C30 C31 -0.2(7) . . . . ?
O7 C25 C26 C28 -65.2(5) . . . . ?
O7 C25 C26 C27 52.8(5) . . . . ?
O7 C25 C26 C29 174.2(4) . . . . ?
O6 C31 C32 C35 -50.9(7) . . . . ?
O6 C31 C32 C33 -165.4(6) . . . . ?
O6 C31 C32 C34 68.6(8) . . . . ?
O6 C31 C32 C33A -103.2(12) . . . . ?
O6 C31 C32 C35A 20.2(11) . . . . ?
O6 C31 C32 C34A 137.4(11) . . . . ?
O5 C20 C19 C14 -4.6(8) . . . . ?
O5 C20 C21 C23 161.4(16) . . . . ?
O5 C20 C21 C22 32.7(15) . . . . ?
O5 C20 C21 C24 -88.2(11) . . . . ?
O5 C20 C21 C23A -177.7(11) . . . . ?
O5 C20 C21 C24A -51.3(10) . . . . ?
O5 C20 C21 C22A 62.4(8) . . . . ?
O1 P1 C8 C9 178.8(2) . . . . ?
O1 P1 C8 C13 -3.6(2) . . . . ?
O1 P1 C1 C1 -54.7(4) . . . 2_666 ?
O1 P1 C2 C3 -164.37(17) . . . . ?
O1 P1 C2 C7 18.8(2) . . . . ?
O2 C36 C37 C38 -51.0(6) . . . . ?
O2 C36 C37 C39 65.6(6) . . . . ?
O2 C36 C37 C40 -173.0(6) . . . . ?
O2 C36 C37 C40A -99.3(18) . . . . ?
O2 C36 C37 C39A 131.0(18) . . . . ?
O2 C36 C37 C38A 24.2(16) . . . . ?
O2 C36 C41 C42 -0.8(7) . . . . ?
O4 C14 C15 C16 24.4(8) . . . . ?
O4 C14 C15 C18 147.4(6) . . . . ?
O4 C14 C15 C17 -93.7(6) . . . . ?
O3 C42 C43 C46 64.0(10) . . . . ?
O3 C42 C43 C45 -53.8(10) . . . . ?
O3 C42 C43 C44 -177.6(11) . . . . ?
O3 C42 C43 C46A 94(2) . . . . ?
O3 C42 C43 C44A -142.9(18) . . . . ?
O3 C42 C43 C45A -24.3(18) . . . . ?
C8 P1 O1 Dy1 -88.2(9) . . . . ?
C8 P1 C1 C1 67.6(4) . . . 2_666 ?
C8 P1 C2 C3 73.8(2) . . . . ?
C8 P1 C2 C7 -103.04(18) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C8 C13 C12 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C8 0.0 . . . . ?
C13 C8 C9 C10 0.0 . . . . ?
C1 P1 O1 Dy1 32.1(10) . . . . ?
C1 P1 C8 C9 56.3(2) . . . . ?
C1 P1 C8 C13 -126.2(2) . . . . ?
C1 P1 C2 C3 -42.3(2) . . . . ?
C1 P1 C2 C7 140.92(19) . . . . ?
C2 P1 O1 Dy1 151.9(9) . . . . ?
C2 P1 C8 C9 -59.6(2) . . . . ?
C2 P1 C8 C13 117.9(2) . . . . ?
C2 P1 C1 C1 -176.3(3) . . . 2_666 ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C6 C7 C2 0.0 . . . . ?
C7 C2 C3 C4 0.0 . . . . ?
C25 C30 C31 O6 -4.5(7) . . . . ?
C25 C30 C31 C32 175.9(4) . . . . ?
C30 C25 C26 C28 114.6(5) . . . . ?
C30 C25 C26 C27 -127.5(5) . . . . ?
C30 C25 C26 C29 -6.0(6) . . . . ?
C30 C31 C32 C35 128.6(6) . . . . ?
C30 C31 C32 C33 14.1(8) . . . . ?
C30 C31 C32 C34 -111.9(7) . . . . ?
C30 C31 C32 C33A 76.3(13) . . . . ?
C30 C31 C32 C35A -160.2(10) . . . . ?
C30 C31 C32 C34A -43.0(11) . . . . ?
C20 C19 C14 O4 -1.0(9) . . . . ?
C20 C19 C14 C15 -176.2(5) . . . . ?
C19 C20 C21 C23 -19.2(17) . . . . ?
C19 C20 C21 C22 -147.9(14) . . . . ?
C19 C20 C21 C24 91.2(12) . . . . ?
C19 C20 C21 C23A 1.7(12) . . . . ?
C19 C20 C21 C24A 128.1(9) . . . . ?
C19 C20 C21 C22A -118.2(8) . . . . ?
C19 C14 C15 C16 -160.0(6) . . . . ?
C19 C14 C15 C18 -37.1(8) . . . . ?
C19 C14 C15 C17 81.9(7) . . . . ?
C36 C41 C42 O3 1.2(8) . . . . ?
C36 C41 C42 C43 -178.8(4) . . . . ?
C26 C25 C30 C31 -179.9(4) . . . . ?
C37 C36 C41 C42 178.5(4) . . . . ?
C41 C36 C37 C38 129.7(5) . . . . ?
C41 C36 C37 C39 -113.8(6) . . . . ?
C41 C36 C37 C40 7.7(7) . . . . ?
C41 C36 C37 C40A 81.3(18) . . . . ?
C41 C36 C37 C39A -48.3(18) . . . . ?
C41 C36 C37 C38A -155.2(16) . . . . ?
C41 C42 C43 C46 -116.1(10) . . . . ?
C41 C42 C43 C45 126.1(9) . . . . ?
C41 C42 C43 C44 2.4(12) . . . . ?
C41 C42 C43 C46A -86(2) . . . . ?
C41 C42 C43 C44A 37.0(18) . . . . ?
C41 C42 C43 C45A 155.6(17) . . . . ?
C21 C20 C19 C14 176.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.582
_oxdiff_exptl_absorpt_empirical_full_min 0.880

# start Validation Reply Form
_vrf_PLAT910_292_auto            
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         13 Note  
RESPONSE: These were likely obstructed by the beam stop.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_c-285_auto
_database_code_depnum_ccdc_archive 'CCDC 2181176'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2022-06-22 deposited with the CCDC.	2022-11-15 downloaded from the CCDC.
;
_audit_creation_date             2022-04-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C56 H70 O16 P2 Tb2'
_chemical_formula_sum            'C56 H70 O16 P2 Tb2'
_chemical_formula_weight         1378.90
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

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

_cell_length_a                   11.0522(5)
_cell_length_b                   12.2463(4)
_cell_length_c                   12.2833(5)
_cell_angle_alpha                116.775(4)
_cell_angle_beta                 94.703(3)
_cell_angle_gamma                90.557(3)
_cell_volume                     1477.24(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    7245
_cell_measurement_temperature    298
_cell_measurement_theta_max      29.0270
_cell_measurement_theta_min      3.6970
_shelx_estimated_absorpt_T_max   0.789
_shelx_estimated_absorpt_T_min   0.522
_exptl_absorpt_coefficient_mu    2.493
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.45531
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             694
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_unetI/netI     0.0620
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.838
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12831
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.838
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.238
_diffrn_reflns_theta_min         3.181
_diffrn_ambient_temperature      298
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.838
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -43.00  33.00   1.00    3.75    --   16.76 -57.00 120.00   76
  2  ω      0.00  83.00   1.00    3.75    --   16.76  38.00  60.00   83
  3  ω    -10.00  17.00   1.00    3.75    --   16.76  77.00-120.00   27
  4  ω     -8.00  39.00   1.00    3.75    --   16.76  77.00   0.00   47
  5  ω     -5.00  27.00   1.00    3.75    --   16.76  77.00 120.00   32
  6  ω    -46.00 -12.00   1.00    3.75    --   16.76 -57.00  90.00   34
  7  ω     45.00  72.00   1.00    3.75    --   16.76 178.00 -60.00   27
  8  ω     11.00  78.00   1.00    3.75    --   16.76  57.00 -90.00   67
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0067478000
_diffrn_orient_matrix_UB_12      -0.0142678000
_diffrn_orient_matrix_UB_13      -0.0629829000
_diffrn_orient_matrix_UB_21      0.0627329000
_diffrn_orient_matrix_UB_22      -0.0112629000
_diffrn_orient_matrix_UB_23      -0.0036189000
_diffrn_orient_matrix_UB_31      -0.0133065000
_diffrn_orient_matrix_UB_32      -0.0623698000
_diffrn_orient_matrix_UB_33      -0.0155894000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5575
_reflns_number_total             6723
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.791
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         6723
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0326
_refine_ls_restrained_S_all      0.978
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0218P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0591
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C6(H6), C5(H5), C4(H4), C3(H3), C16(H16), C13(H13), C12(H12),
 C22(H22), C26(H26), C11(H11), C9(H9), C10(H10)
2.c Fitted hexagon refined as free rotating group:
 C2(C7,C6,C5,C4,C3)
2.d X=CH2 refined with riding coordinates:
 O2(H2A,H2B)
2.e Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C23(H23A,H23B,H23C), C25(H25A,H25B,H25C), C20(H20A,H20B,
 H20C), C28(H28A,H28B,H28C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.82280(2) 0.44677(2) 0.28679(2) 0.02350(5) Uani 1 1 d . . . . .
P1 P 0.56163(8) 0.63570(7) 0.44224(8) 0.02451(19) Uani 1 1 d . . . . .
O3 O 0.9519(2) 0.62763(19) 0.4063(2) 0.0339(6) Uani 1 1 d . . . . .
O2 O 0.85815(19) 0.46043(18) 0.49099(18) 0.0283(5) Uani 1 1 d . . . . .
H2A H 0.873411 0.536466 0.558861 0.042 Uiso 1 1 calc R U . . .
H2B H 0.856380 0.389621 0.501100 0.042 Uiso 1 1 calc R U . . .
O8 O 0.7906(2) 0.25321(19) 0.2801(2) 0.0363(6) Uani 1 1 d . . . . .
O7 O 0.6277(2) 0.3667(2) 0.1884(2) 0.0397(6) Uani 1 1 d . . . . .
O6 O 1.0214(2) 0.37421(19) 0.2891(2) 0.0347(6) Uani 1 1 d . . . . .
O1 O 0.6812(2) 0.58789(19) 0.4000(2) 0.0331(6) Uani 1 1 d . . . . .
O5 O 0.8581(2) 0.3185(2) 0.0851(2) 0.0387(6) Uani 1 1 d . . . . .
O4 O 0.8114(2) 0.5666(2) 0.1851(2) 0.0390(6) Uani 1 1 d . . . . .
C1 C 0.5043(3) 0.5704(3) 0.5342(3) 0.0305(8) Uani 1 1 d . . . . .
H1A H 0.557576 0.596844 0.609309 0.037 Uiso 1 1 calc R U . . .
H1B H 0.424374 0.599906 0.556046 0.037 Uiso 1 1 calc R U . . .
C2 C 0.5773(2) 0.79881(15) 0.5345(2) 0.0290(8) Uani 1 1 d G . . . .
C7 C 0.6701(2) 0.8619(2) 0.5131(3) 0.0667(14) Uani 1 1 d G . . . .
H7 H 0.723106 0.819324 0.454868 0.080 Uiso 1 1 calc R U . . .
C6 C 0.6837(3) 0.9888(2) 0.5786(3) 0.0843(17) Uani 1 1 d G . . . .
H6 H 0.745811 1.031011 0.564214 0.101 Uiso 1 1 calc R U . . .
C5 C 0.6045(3) 1.05247(15) 0.6656(3) 0.0711(15) Uani 1 1 d G . . . .
H5 H 0.613613 1.137325 0.709394 0.085 Uiso 1 1 calc R U . . .
C4 C 0.5117(3) 0.9893(2) 0.6870(3) 0.111(2) Uani 1 1 d G . . . .
H4 H 0.458709 1.031953 0.745230 0.133 Uiso 1 1 calc R U . . .
C3 C 0.4981(3) 0.8625(2) 0.6215(3) 0.0853(19) Uani 1 1 d G . . . .
H3 H 0.436002 0.820266 0.635885 0.102 Uiso 1 1 calc R U . . .
C14 C 0.9667(3) 0.7295(3) 0.4036(3) 0.0368(9) Uani 1 1 d . . . . .
C16 C 0.9187(3) 0.7550(3) 0.3100(3) 0.0409(10) Uani 1 1 d . . . . .
H16 H 0.936032 0.832589 0.317289 0.049 Uiso 1 1 calc R U . . .
C13 C 0.4811(3) 0.6013(3) 0.2102(3) 0.0350(9) Uani 1 1 d . . . . .
H13 H 0.563027 0.600835 0.197998 0.042 Uiso 1 1 calc R U . . .
C19 C 1.0678(3) 0.2771(3) 0.2166(3) 0.0352(9) Uani 1 1 d . . . . .
C8 C 0.4465(3) 0.6104(3) 0.3193(3) 0.0262(7) Uani 1 1 d . . . . .
C17 C 0.8465(3) 0.6728(3) 0.2058(3) 0.0382(9) Uani 1 1 d . . . . .
C27 C 0.5816(3) 0.2602(3) 0.1278(3) 0.0399(9) Uani 1 1 d . . . . .
C24 C 0.7337(4) 0.1570(3) 0.2004(3) 0.0390(9) Uani 1 1 d . . . . .
C12 C 0.3940(4) 0.5927(3) 0.1196(3) 0.0453(10) Uani 1 1 d . . . . .
H12 H 0.418021 0.588474 0.046998 0.054 Uiso 1 1 calc R U . . .
C21 C 0.9214(4) 0.2269(3) 0.0366(3) 0.0391(9) Uani 1 1 d . . . . .
C22 C 1.0213(3) 0.2022(3) 0.0970(3) 0.0426(10) Uani 1 1 d . . . . .
H22 H 1.059687 0.129948 0.053813 0.051 Uiso 1 1 calc R U . . .
C26 C 0.6331(4) 0.1553(3) 0.1244(4) 0.0461(11) Uani 1 1 d . . . . .
H26 H 0.597671 0.079554 0.067667 0.055 Uiso 1 1 calc R U . . .
C11 C 0.2740(4) 0.5904(3) 0.1341(4) 0.0498(11) Uani 1 1 d . . . . .
H11 H 0.216236 0.584929 0.072115 0.060 Uiso 1 1 calc R U . . .
C15 C 1.0421(4) 0.8288(3) 0.5115(4) 0.0682(14) Uani 1 1 d . . . . .
H15A H 1.006280 0.844842 0.585490 0.102 Uiso 1 1 calc R U . . .
H15B H 1.044860 0.902076 0.501432 0.102 Uiso 1 1 calc R U . . .
H15C H 1.123106 0.802582 0.516096 0.102 Uiso 1 1 calc R U . . .
C9 C 0.3250(3) 0.6067(4) 0.3333(3) 0.0480(11) Uani 1 1 d . . . . .
H9 H 0.300477 0.611421 0.405833 0.058 Uiso 1 1 calc R U . . .
C23 C 0.8833(4) 0.1408(4) -0.0959(3) 0.0642(14) Uani 1 1 d . . . . .
H23A H 0.801017 0.110361 -0.104096 0.096 Uiso 1 1 calc R U . . .
H23B H 0.935886 0.073519 -0.123730 0.096 Uiso 1 1 calc R U . . .
H23C H 0.888854 0.183762 -0.144371 0.096 Uiso 1 1 calc R U . . .
C25 C 0.7797(4) 0.0377(3) 0.1903(4) 0.0640(14) Uani 1 1 d . . . . .
H25A H 0.863860 0.033335 0.175527 0.096 Uiso 1 1 calc R U . . .
H25B H 0.733486 -0.029281 0.123748 0.096 Uiso 1 1 calc R U . . .
H25C H 0.770981 0.033158 0.265306 0.096 Uiso 1 1 calc R U . . .
C20 C 1.1849(4) 0.2461(4) 0.2657(4) 0.0679(15) Uani 1 1 d . . . . .
H20A H 1.247056 0.308139 0.281435 0.102 Uiso 1 1 calc R U . . .
H20B H 1.209216 0.168294 0.206572 0.102 Uiso 1 1 calc R U . . .
H20C H 1.173102 0.242226 0.340484 0.102 Uiso 1 1 calc R U . . .
C10 C 0.2384(4) 0.5961(4) 0.2403(4) 0.0584(12) Uani 1 1 d . . . . .
H10 H 0.156142 0.592790 0.250300 0.070 Uiso 1 1 calc R U . . .
C28 C 0.4616(4) 0.2463(4) 0.0542(4) 0.0663(14) Uani 1 1 d . . . . .
H28A H 0.416515 0.317828 0.095122 0.099 Uiso 1 1 calc R U . . .
H28B H 0.416193 0.175426 0.046184 0.099 Uiso 1 1 calc R U . . .
H28C H 0.475656 0.236789 -0.025635 0.099 Uiso 1 1 calc R U . . .
C18 C 0.8060(5) 0.7109(4) 0.1100(4) 0.0818(18) Uani 1 1 d . . . . .
H18A H 0.817947 0.646287 0.030664 0.123 Uiso 1 1 calc R U . . .
H18B H 0.852516 0.783340 0.123797 0.123 Uiso 1 1 calc R U . . .
H18C H 0.721343 0.727659 0.113748 0.123 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 O3 2.400(2) . ?
Tb1 O2 2.436(2) . ?
Tb1 O8 2.357(2) . ?
Tb1 O7 2.353(2) . ?
Tb1 O6 2.379(2) . ?
Tb1 O1 2.369(2) . ?
Tb1 O5 2.328(2) . ?
Tb1 O4 2.315(2) . ?
P1 O1 1.488(2) . ?
P1 C1 1.800(3) . ?
P1 C2 1.7961(18) . ?
P1 C8 1.803(3) . ?
O3 C14 1.272(4) . ?
O2 H2A 0.9300 . ?
O2 H2B 0.9300 . ?
O8 C24 1.260(4) . ?
O7 C27 1.251(4) . ?
O6 C19 1.266(4) . ?
O5 C21 1.259(4) . ?
O4 C17 1.258(4) . ?
C1 C1 1.537(6) 2_666 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C7 1.3900 . ?
C2 C3 1.3900 . ?
C7 H7 0.9300 . ?
C7 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C3 1.3900 . ?
C3 H3 0.9300 . ?
C14 C16 1.388(5) . ?
C14 C15 1.508(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.395(5) . ?
C13 H13 0.9300 . ?
C13 C8 1.379(5) . ?
C13 C12 1.377(5) . ?
C19 C22 1.384(5) . ?
C19 C20 1.507(5) . ?
C8 C9 1.371(5) . ?
C17 C18 1.488(5) . ?
C27 C26 1.394(5) . ?
C27 C28 1.505(5) . ?
C24 C26 1.385(5) . ?
C24 C25 1.507(5) . ?
C12 H12 0.9300 . ?
C12 C11 1.354(5) . ?
C21 C22 1.391(5) . ?
C21 C23 1.507(5) . ?
C22 H22 0.9300 . ?
C26 H26 0.9300 . ?
C11 H11 0.9300 . ?
C11 C10 1.366(6) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C9 H9 0.9300 . ?
C9 C10 1.386(5) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C10 H10 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?

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
O3 Tb1 O2 73.66(8) . . ?
O8 Tb1 O3 136.98(8) . . ?
O8 Tb1 O2 69.30(7) . . ?
O8 Tb1 O6 75.73(8) . . ?
O8 Tb1 O1 112.13(8) . . ?
O7 Tb1 O3 146.46(8) . . ?
O7 Tb1 O2 114.18(8) . . ?
O7 Tb1 O8 71.46(8) . . ?
O7 Tb1 O6 137.74(7) . . ?
O7 Tb1 O1 72.60(8) . . ?
O6 Tb1 O3 75.17(7) . . ?
O6 Tb1 O2 76.75(8) . . ?
O1 Tb1 O3 78.42(8) . . ?
O1 Tb1 O2 76.15(7) . . ?
O1 Tb1 O6 146.39(7) . . ?
O5 Tb1 O3 119.96(9) . . ?
O5 Tb1 O2 140.23(7) . . ?
O5 Tb1 O8 79.33(8) . . ?
O5 Tb1 O7 76.13(8) . . ?
O5 Tb1 O6 72.20(8) . . ?
O5 Tb1 O1 140.39(8) . . ?
O4 Tb1 O3 72.66(8) . . ?
O4 Tb1 O2 141.97(7) . . ?
O4 Tb1 O8 148.36(8) . . ?
O4 Tb1 O7 85.96(9) . . ?
O4 Tb1 O6 110.63(9) . . ?
O4 Tb1 O1 80.27(8) . . ?
O4 Tb1 O5 73.81(8) . . ?
O1 P1 C1 111.63(15) . . ?
O1 P1 C2 109.76(13) . . ?
O1 P1 C8 113.76(14) . . ?
C1 P1 C8 108.17(16) . . ?
C2 P1 C1 107.63(13) . . ?
C2 P1 C8 105.56(13) . . ?
C14 O3 Tb1 134.0(2) . . ?
Tb1 O2 H2A 120.0 . . ?
Tb1 O2 H2B 120.0 . . ?
H2A O2 H2B 120.0 . . ?
C24 O8 Tb1 131.2(2) . . ?
C27 O7 Tb1 133.4(2) . . ?
C19 O6 Tb1 131.7(2) . . ?
P1 O1 Tb1 158.51(14) . . ?
C21 O5 Tb1 133.4(2) . . ?
C17 O4 Tb1 137.4(2) . . ?
P1 C1 H1A 109.3 . . ?
P1 C1 H1B 109.3 . . ?
C1 C1 P1 111.6(3) 2_666 . ?
C1 C1 H1A 109.3 2_666 . ?
C1 C1 H1B 109.3 2_666 . ?
H1A C1 H1B 108.0 . . ?
C7 C2 P1 117.50(15) . . ?
C7 C2 C3 120.0 . . ?
C3 C2 P1 122.46(15) . . ?
C2 C7 H7 120.0 . . ?
C2 C7 C6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
O3 C14 C16 124.9(3) . . ?
O3 C14 C15 116.5(3) . . ?
C16 C14 C15 118.6(3) . . ?
C14 C16 H16 117.6 . . ?
C14 C16 C17 124.8(3) . . ?
C17 C16 H16 117.6 . . ?
C8 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C8 119.9(4) . . ?
O6 C19 C22 124.9(3) . . ?
O6 C19 C20 115.9(3) . . ?
C22 C19 C20 119.1(3) . . ?
C13 C8 P1 119.3(3) . . ?
C9 C8 P1 121.8(3) . . ?
C9 C8 C13 118.8(3) . . ?
O4 C17 C16 125.1(3) . . ?
O4 C17 C18 116.0(3) . . ?
C16 C17 C18 118.9(3) . . ?
O7 C27 C26 124.8(3) . . ?
O7 C27 C28 116.7(3) . . ?
C26 C27 C28 118.5(3) . . ?
O8 C24 C26 124.3(3) . . ?
O8 C24 C25 116.3(3) . . ?
C26 C24 C25 119.3(3) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 C13 121.2(4) . . ?
C11 C12 H12 119.4 . . ?
O5 C21 C22 124.4(3) . . ?
O5 C21 C23 115.9(3) . . ?
C22 C21 C23 119.7(3) . . ?
C19 C22 C21 124.8(3) . . ?
C19 C22 H22 117.6 . . ?
C21 C22 H22 117.6 . . ?
C27 C26 H26 118.0 . . ?
C24 C26 C27 124.0(3) . . ?
C24 C26 H26 118.0 . . ?
C12 C11 H11 120.2 . . ?
C12 C11 C10 119.5(4) . . ?
C10 C11 H11 120.2 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.6(4) . . ?
C10 C9 H9 119.7 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C11 C10 C9 119.9(4) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Tb1 O3 C14 C16 -10.9(6) . . . . ?
Tb1 O3 C14 C15 169.0(3) . . . . ?
Tb1 O8 C24 C26 -30.7(6) . . . . ?
Tb1 O8 C24 C25 150.0(3) . . . . ?
Tb1 O7 C27 C26 14.7(6) . . . . ?
Tb1 O7 C27 C28 -165.6(3) . . . . ?
Tb1 O6 C19 C22 19.0(6) . . . . ?
Tb1 O6 C19 C20 -163.4(3) . . . . ?
Tb1 O5 C21 C22 -23.4(6) . . . . ?
Tb1 O5 C21 C23 156.8(3) . . . . ?
Tb1 O4 C17 C16 4.6(6) . . . . ?
Tb1 O4 C17 C18 -175.3(3) . . . . ?
P1 C2 C7 C6 177.6(2) . . . . ?
P1 C2 C3 C4 -177.5(2) . . . . ?
P1 C8 C9 C10 175.3(3) . . . . ?
O3 C14 C16 C17 0.5(6) . . . . ?
O8 C24 C26 C27 -0.6(7) . . . . ?
O7 C27 C26 C24 8.9(7) . . . . ?
O6 C19 C22 C21 4.4(7) . . . . ?
O1 P1 C1 C1 -55.7(4) . . . 2_666 ?
O1 P1 C2 C7 26.7(2) . . . . ?
O1 P1 C2 C3 -155.74(19) . . . . ?
O1 P1 C8 C13 -27.3(3) . . . . ?
O1 P1 C8 C9 156.3(3) . . . . ?
O5 C21 C22 C19 -2.8(7) . . . . ?
C1 P1 O1 Tb1 72.1(4) . . . . ?
C1 P1 C2 C7 148.4(2) . . . . ?
C1 P1 C2 C3 -34.1(2) . . . . ?
C1 P1 C8 C13 -151.9(3) . . . . ?
C1 P1 C8 C9 31.7(3) . . . . ?
C2 P1 O1 Tb1 -168.6(4) . . . . ?
C2 P1 C1 C1 -176.2(3) . . . 2_666 ?
C2 P1 C8 C13 93.1(3) . . . . ?
C2 P1 C8 C9 -83.3(3) . . . . ?
C2 C7 C6 C5 0.0 . . . . ?
C7 C2 C3 C4 0.0 . . . . ?
C7 C6 C5 C4 0.0 . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
C14 C16 C17 O4 2.9(7) . . . . ?
C14 C16 C17 C18 -177.3(4) . . . . ?
C13 C8 C9 C10 -1.1(6) . . . . ?
C13 C12 C11 C10 -0.3(6) . . . . ?
C8 P1 O1 Tb1 -50.6(4) . . . . ?
C8 P1 C1 C1 70.2(4) . . . 2_666 ?
C8 P1 C2 C7 -96.3(2) . . . . ?
C8 P1 C2 C3 81.3(2) . . . . ?
C8 C13 C12 C11 -1.5(6) . . . . ?
C8 C9 C10 C11 -0.6(7) . . . . ?
C12 C13 C8 P1 -174.3(3) . . . . ?
C12 C13 C8 C9 2.1(5) . . . . ?
C12 C11 C10 C9 1.3(7) . . . . ?
C15 C14 C16 C17 -179.3(4) . . . . ?
C23 C21 C22 C19 177.0(4) . . . . ?
C25 C24 C26 C27 178.6(4) . . . . ?
C20 C19 C22 C21 -173.1(4) . . . . ?
C28 C27 C26 C24 -170.7(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.879
_oxdiff_exptl_absorpt_empirical_full_min 0.700
####################################################################### 
# 
# 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_czw278-3_auto
_database_code_depnum_ccdc_archive 'CCDC 2181173'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2022-06-22 deposited with the CCDC.	2022-11-15 downloaded from the CCDC.
;
_audit_creation_date             2022-04-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C56 H70 Dy2 O16 P2'
_chemical_formula_sum            'C56 H70 Dy2 O16 P2'
_chemical_formula_weight         1386.06
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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'

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

_cell_length_a                   11.0237(6)
_cell_length_b                   12.2222(6)
_cell_length_c                   12.2882(6)
_cell_angle_alpha                116.833(5)
_cell_angle_beta                 94.712(4)
_cell_angle_gamma                90.589(4)
_cell_volume                     1470.28(14)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8413
_cell_measurement_temperature    293
_cell_measurement_theta_max      28.8830
_cell_measurement_theta_min      3.6940
_shelx_estimated_absorpt_T_max   0.778
_shelx_estimated_absorpt_T_min   0.505
_exptl_absorpt_coefficient_mu    2.641
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93024
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.854
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13654
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.854
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.152
_diffrn_reflns_theta_min         3.186
_diffrn_ambient_temperature      293.00
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.854
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -89.00 -64.00   1.00    6.79    --  -16.52 178.00 -30.00   25
  2  ω      0.00  34.00   1.00    6.79    --   16.76  57.00-150.00   34
  3  ω    -36.00  29.00   1.00    6.79    --   16.76 -38.00 -30.00   65
  4  ω    -10.00  30.00   1.00    6.79    --   16.76  77.00  90.00   40
  5  ω    -20.00  56.00   1.00    6.79    --   16.76 -99.00 -30.00   76
  6  ω    -19.00  42.00   1.00    6.79    --   16.76 -77.00-150.00   61
  7  ω    -10.00  15.00   1.00    6.79    --   16.76  77.00-120.00   25
  8  ω    -50.00  36.00   1.00    6.79    --   16.76 -38.00  60.00   86
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0431548000
_diffrn_orient_matrix_UB_12      0.0215459000
_diffrn_orient_matrix_UB_13      -0.0265938000
_diffrn_orient_matrix_UB_21      -0.0479371000
_diffrn_orient_matrix_UB_22      0.0201000000
_diffrn_orient_matrix_UB_23      -0.0276034000
_diffrn_orient_matrix_UB_31      0.0044415000
_diffrn_orient_matrix_UB_32      0.0580820000
_diffrn_orient_matrix_UB_33      0.0524900000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6058
_reflns_number_total             6785
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.613
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         6785
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0295
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0238P)²+0.1764P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0583
_refine_ls_wR_factor_ref         0.0614
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C13(H13), C16(H16), C26(H26), C21(H21), C9(H9), C12(H12), C11(H11), C10(H10),
 C3(H3), C7(H7), C6(H6), C5(H5), C4(H4)
2.c Fitted hexagon refined as free rotating group:
 C3(C2,C7,C6,C5,C4)
2.d X=CH2 refined with riding coordinates:
 O2(H2A,H2B)
2.e Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C25(H25A,H25B,H25C), C20(H20A,H20B,H20C), C18(H18A,H18B,
 H18C), C23(H23A,H23B,H23C), C15(H15A,H15B,H15C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.17707(2) 0.55312(2) 0.71303(2) 0.02330(5) Uani 1 1 d . . . . .
P1 P 0.43788(8) 0.36427(7) 0.55784(7) 0.02494(17) Uani 1 1 d . . . . .
O3 O 0.0480(2) 0.37291(19) 0.59379(19) 0.0355(5) Uani 1 1 d . . . . .
O7 O 0.2083(2) 0.74598(18) 0.71996(19) 0.0350(5) Uani 1 1 d . . . . .
O5 O -0.0212(2) 0.62468(19) 0.71074(18) 0.0341(5) Uani 1 1 d . . . . .
O1 O 0.3180(2) 0.41188(18) 0.59983(19) 0.0328(5) Uani 1 1 d . . . . .
O4 O 0.1891(2) 0.4333(2) 0.81396(19) 0.0391(6) Uani 1 1 d . . . . .
O2 O 0.14212(19) 0.53952(18) 0.50986(17) 0.0289(5) Uani 1 1 d . . . . .
H2A H 0.127376 0.463266 0.441854 0.043 Uiso 1 1 calc R U . . .
H2B H 0.143449 0.610566 0.499918 0.043 Uiso 1 1 calc R U . . .
O6 O 0.1423(2) 0.6806(2) 0.91405(18) 0.0392(6) Uani 1 1 d . . . . .
O8 O 0.3717(2) 0.63246(19) 0.8106(2) 0.0390(6) Uani 1 1 d . . . . .
C1 C 0.4957(3) 0.4299(3) 0.4660(3) 0.0317(8) Uani 1 1 d . . . . .
H1A H 0.575849 0.400368 0.444200 0.038 Uiso 1 1 calc R U . . .
H1B H 0.442370 0.403390 0.390754 0.038 Uiso 1 1 calc R U . . .
C24 C 0.2656(3) 0.8423(3) 0.8003(3) 0.0385(8) Uani 1 1 d . . . . .
C8 C 0.5533(3) 0.3901(3) 0.6806(3) 0.0268(7) Uani 1 1 d . . . . .
C17 C 0.0334(3) 0.2713(3) 0.5963(3) 0.0360(8) Uani 1 1 d . . . . .
C13 C 0.5178(3) 0.3980(3) 0.7898(3) 0.0363(8) Uani 1 1 d . . . . .
H13 H 0.435565 0.396817 0.801402 0.044 Uiso 1 1 calc R U . . .
C14 C 0.1538(3) 0.3274(3) 0.7929(3) 0.0387(8) Uani 1 1 d . . . . .
C16 C 0.0813(4) 0.2455(3) 0.6895(3) 0.0414(9) Uani 1 1 d . . . . .
H16 H 0.063671 0.167786 0.682163 0.050 Uiso 1 1 calc R U . . .
C19 C -0.0678(3) 0.7213(3) 0.7833(3) 0.0358(8) Uani 1 1 d . . . . .
C26 C 0.3670(4) 0.8442(3) 0.8752(3) 0.0440(9) Uani 1 1 d . . . . .
H26 H 0.402771 0.920219 0.931561 0.053 Uiso 1 1 calc R U . . .
C21 C -0.0214(3) 0.7972(3) 0.9028(3) 0.0423(9) Uani 1 1 d . . . . .
H21 H -0.059796 0.869624 0.945896 0.051 Uiso 1 1 calc R U . . .
C27 C 0.4189(3) 0.7394(3) 0.8717(3) 0.0384(8) Uani 1 1 d . . . . .
C22 C 0.0792(4) 0.7720(3) 0.9626(3) 0.0398(9) Uani 1 1 d . . . . .
C9 C 0.6748(3) 0.3943(4) 0.6673(3) 0.0475(10) Uani 1 1 d . . . . .
H9 H 0.699427 0.390444 0.595080 0.057 Uiso 1 1 calc R U . . .
C12 C 0.6057(4) 0.4074(3) 0.8810(3) 0.0457(10) Uani 1 1 d . . . . .
H12 H 0.582048 0.411848 0.953709 0.055 Uiso 1 1 calc R U . . .
C28 C 0.5386(4) 0.7525(4) 0.9449(4) 0.0618(12) Uani 1 1 d . . . . .
H28A H 0.524503 0.765294 1.025721 0.093 Uiso 1 1 calc R U . . .
H28B H 0.585993 0.821489 0.950327 0.093 Uiso 1 1 calc R U . . .
H28C H 0.582060 0.679241 0.905445 0.093 Uiso 1 1 calc R U . . .
C25 C 0.2197(4) 0.9621(3) 0.8104(4) 0.0619(12) Uani 1 1 d . . . . .
H25A H 0.232784 0.968740 0.737219 0.093 Uiso 1 1 calc R U . . .
H25B H 0.262890 1.029242 0.879834 0.093 Uiso 1 1 calc R U . . .
H25C H 0.134142 0.964610 0.820392 0.093 Uiso 1 1 calc R U . . .
C20 C -0.1844(4) 0.7545(4) 0.7345(4) 0.0657(13) Uani 1 1 d . . . . .
H20A H -0.172112 0.757987 0.659677 0.099 Uiso 1 1 calc R U . . .
H20B H -0.207427 0.833095 0.793804 0.099 Uiso 1 1 calc R U . . .
H20C H -0.247943 0.693463 0.718997 0.099 Uiso 1 1 calc R U . . .
C11 C 0.7267(4) 0.4104(3) 0.8659(3) 0.0516(10) Uani 1 1 d . . . . .
H11 H 0.784928 0.416818 0.927985 0.062 Uiso 1 1 calc R U . . .
C10 C 0.7619(4) 0.4040(4) 0.7594(4) 0.0610(12) Uani 1 1 d . . . . .
H10 H 0.844281 0.406240 0.748780 0.073 Uiso 1 1 calc R U . . .
C18 C -0.0429(4) 0.1726(3) 0.4884(4) 0.0688(14) Uani 1 1 d . . . . .
H18A H -0.110361 0.208572 0.464387 0.103 Uiso 1 1 calc R U . . .
H18B H -0.073006 0.112426 0.511008 0.103 Uiso 1 1 calc R U . . .
H18C H 0.005984 0.133909 0.421270 0.103 Uiso 1 1 calc R U . . .
C23 C 0.1170(4) 0.8580(4) 1.0959(3) 0.0650(13) Uani 1 1 d . . . . .
H23A H 0.113439 0.813943 1.143458 0.098 Uiso 1 1 calc R U . . .
H23B H 0.062713 0.924091 1.124446 0.098 Uiso 1 1 calc R U . . .
H23C H 0.198692 0.890650 1.104283 0.098 Uiso 1 1 calc R U . . .
C15 C 0.1964(5) 0.2875(4) 0.8885(4) 0.0794(17) Uani 1 1 d . . . . .
H15A H 0.278399 0.319586 0.920970 0.119 Uiso 1 1 calc R U . . .
H15B H 0.194110 0.199429 0.851885 0.119 Uiso 1 1 calc R U . . .
H15C H 0.144010 0.317939 0.953401 0.119 Uiso 1 1 calc R U . . .
C3 C 0.5032(3) 0.1368(2) 0.3798(3) 0.0881(19) Uani 1 1 d G . . . .
H3 H 0.566088 0.178964 0.366080 0.106 Uiso 1 1 calc R U . . .
C2 C 0.4229(2) 0.20106(15) 0.4656(2) 0.0313(7) Uani 1 1 d G . . . .
C7 C 0.3288(2) 0.1381(2) 0.4862(3) 0.0680(14) Uani 1 1 d G . . . .
H7 H 0.275133 0.181073 0.543601 0.082 Uiso 1 1 calc R U . . .
C6 C 0.3151(3) 0.0109(2) 0.4208(3) 0.0858(17) Uani 1 1 d G . . . .
H6 H 0.252157 -0.031188 0.434576 0.103 Uiso 1 1 calc R U . . .
C5 C 0.3954(3) -0.05329(15) 0.3350(3) 0.0733(15) Uani 1 1 d G . . . .
H5 H 0.386145 -0.138375 0.291302 0.088 Uiso 1 1 calc R U . . .
C4 C 0.4894(3) 0.0097(2) 0.3145(3) 0.111(2) Uani 1 1 d G . . . .
H4 H 0.543111 -0.033300 0.257053 0.133 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 O3 2.388(2) . ?
Dy1 O7 2.341(2) . ?
Dy1 O5 2.365(2) . ?
Dy1 O1 2.360(2) . ?
Dy1 O4 2.306(2) . ?
Dy1 O2 2.424(2) . ?
Dy1 O6 2.317(2) . ?
Dy1 O8 2.338(2) . ?
P1 O1 1.486(2) . ?
P1 C1 1.803(3) . ?
P1 C8 1.800(3) . ?
P1 C2 1.7922(18) . ?
O3 C17 1.265(4) . ?
O7 C24 1.262(4) . ?
O5 C19 1.262(4) . ?
O4 C14 1.250(4) . ?
O2 H2A 0.9300 . ?
O2 H2B 0.9300 . ?
O6 C22 1.253(4) . ?
O8 C27 1.256(4) . ?
C1 C1 1.527(5) 2_666 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C24 C26 1.381(5) . ?
C24 C25 1.510(5) . ?
C8 C13 1.391(4) . ?
C8 C9 1.366(5) . ?
C17 C16 1.385(5) . ?
C17 C18 1.508(5) . ?
C13 H13 0.9300 . ?
C13 C12 1.382(5) . ?
C14 C16 1.387(5) . ?
C14 C15 1.506(5) . ?
C16 H16 0.9300 . ?
C19 C21 1.384(4) . ?
C19 C20 1.510(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.392(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.395(5) . ?
C27 C28 1.499(5) . ?
C22 C23 1.511(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.384(5) . ?
C12 H12 0.9300 . ?
C12 C11 1.363(5) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C11 H11 0.9300 . ?
C11 C10 1.364(5) . ?
C10 H10 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C3 H3 0.9300 . ?
C3 C2 1.3900 . ?
C3 C4 1.3900 . ?
C2 C7 1.3900 . ?
C7 H7 0.9300 . ?
C7 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C4 1.3900 . ?
C4 H4 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Dy1 O2 73.63(7) . . ?
O7 Dy1 O3 136.71(8) . . ?
O7 Dy1 O5 75.67(8) . . ?
O7 Dy1 O1 112.45(8) . . ?
O7 Dy1 O2 69.26(7) . . ?
O5 Dy1 O3 74.89(8) . . ?
O5 Dy1 O2 76.88(7) . . ?
O1 Dy1 O3 78.34(8) . . ?
O1 Dy1 O5 146.18(7) . . ?
O1 Dy1 O2 76.02(7) . . ?
O4 Dy1 O3 72.81(7) . . ?
O4 Dy1 O7 148.42(7) . . ?
O4 Dy1 O5 110.66(8) . . ?
O4 Dy1 O1 80.08(8) . . ?
O4 Dy1 O2 141.93(7) . . ?
O4 Dy1 O6 73.73(8) . . ?
O4 Dy1 O8 85.74(8) . . ?
O6 Dy1 O3 119.95(8) . . ?
O6 Dy1 O7 79.39(8) . . ?
O6 Dy1 O5 72.42(8) . . ?
O6 Dy1 O1 140.30(8) . . ?
O6 Dy1 O2 140.48(8) . . ?
O6 Dy1 O8 76.13(8) . . ?
O8 Dy1 O3 146.41(8) . . ?
O8 Dy1 O7 71.82(8) . . ?
O8 Dy1 O5 138.06(7) . . ?
O8 Dy1 O1 72.61(7) . . ?
O8 Dy1 O2 114.10(8) . . ?
O1 P1 C1 111.69(15) . . ?
O1 P1 C8 113.88(14) . . ?
O1 P1 C2 109.91(12) . . ?
C8 P1 C1 107.89(15) . . ?
C2 P1 C1 107.56(12) . . ?
C2 P1 C8 105.54(13) . . ?
C17 O3 Dy1 133.8(2) . . ?
C24 O7 Dy1 130.8(2) . . ?
C19 O5 Dy1 131.7(2) . . ?
P1 O1 Dy1 158.25(13) . . ?
C14 O4 Dy1 137.2(2) . . ?
Dy1 O2 H2A 120.0 . . ?
Dy1 O2 H2B 120.0 . . ?
H2A O2 H2B 120.0 . . ?
C22 O6 Dy1 133.3(2) . . ?
C27 O8 Dy1 133.7(2) . . ?
P1 C1 H1A 109.3 . . ?
P1 C1 H1B 109.3 . . ?
C1 C1 P1 111.6(3) 2_666 . ?
C1 C1 H1A 109.3 2_666 . ?
C1 C1 H1B 109.3 2_666 . ?
H1A C1 H1B 108.0 . . ?
O7 C24 C26 124.6(3) . . ?
O7 C24 C25 116.1(3) . . ?
C26 C24 C25 119.2(3) . . ?
C13 C8 P1 118.8(3) . . ?
C9 C8 P1 122.2(2) . . ?
C9 C8 C13 118.9(3) . . ?
O3 C17 C16 125.1(3) . . ?
O3 C17 C18 116.1(3) . . ?
C16 C17 C18 118.8(3) . . ?
C8 C13 H13 120.3 . . ?
C12 C13 C8 119.4(3) . . ?
C12 C13 H13 120.3 . . ?
O4 C14 C16 125.3(3) . . ?
O4 C14 C15 116.0(3) . . ?
C16 C14 C15 118.6(3) . . ?
C17 C16 C14 124.6(3) . . ?
C17 C16 H16 117.7 . . ?
C14 C16 H16 117.7 . . ?
O5 C19 C21 125.3(3) . . ?
O5 C19 C20 116.5(3) . . ?
C21 C19 C20 118.3(3) . . ?
C24 C26 H26 118.0 . . ?
C24 C26 C27 124.1(3) . . ?
C27 C26 H26 118.0 . . ?
C19 C21 H21 117.9 . . ?
C19 C21 C22 124.2(3) . . ?
C22 C21 H21 117.9 . . ?
O8 C27 C26 124.3(3) . . ?
O8 C27 C28 116.7(3) . . ?
C26 C27 C28 119.0(3) . . ?
O6 C22 C21 124.6(3) . . ?
O6 C22 C23 116.0(3) . . ?
C21 C22 C23 119.4(3) . . ?
C8 C9 H9 119.5 . . ?
C8 C9 C10 121.1(3) . . ?
C10 C9 H9 119.5 . . ?
C13 C12 H12 119.5 . . ?
C11 C12 C13 121.0(3) . . ?
C11 C12 H12 119.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C12 C11 H11 120.1 . . ?
C12 C11 C10 119.7(4) . . ?
C10 C11 H11 120.1 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.9(4) . . ?
C11 C10 H10 120.1 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C2 P1 122.76(14) . . ?
C3 C2 C7 120.0 . . ?
C7 C2 P1 117.20(14) . . ?
C2 C7 H7 120.0 . . ?
C2 C7 C6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O3 C17 C16 11.1(6) . . . . ?
Dy1 O3 C17 C18 -169.2(3) . . . . ?
Dy1 O7 C24 C26 31.1(5) . . . . ?
Dy1 O7 C24 C25 -150.5(3) . . . . ?
Dy1 O5 C19 C21 -18.4(5) . . . . ?
Dy1 O5 C19 C20 162.3(3) . . . . ?
Dy1 O4 C14 C16 -4.5(6) . . . . ?
Dy1 O4 C14 C15 174.6(3) . . . . ?
Dy1 O6 C22 C21 23.5(6) . . . . ?
Dy1 O6 C22 C23 -157.2(3) . . . . ?
Dy1 O8 C27 C26 -14.3(6) . . . . ?
Dy1 O8 C27 C28 165.5(3) . . . . ?
P1 C8 C13 C12 174.6(3) . . . . ?
P1 C8 C9 C10 -174.6(3) . . . . ?
P1 C2 C7 C6 -177.6(2) . . . . ?
O3 C17 C16 C14 -0.9(6) . . . . ?
O7 C24 C26 C27 -0.1(6) . . . . ?
O5 C19 C21 C22 -5.0(6) . . . . ?
O1 P1 C1 C1 55.8(4) . . . 2_666 ?
O1 P1 C8 C13 28.1(3) . . . . ?
O1 P1 C8 C9 -156.3(3) . . . . ?
O1 P1 C2 C3 156.53(19) . . . . ?
O1 P1 C2 C7 -25.9(2) . . . . ?
O4 C14 C16 C17 -2.7(6) . . . . ?
C1 P1 O1 Dy1 -72.3(4) . . . . ?
C1 P1 C8 C13 152.7(2) . . . . ?
C1 P1 C8 C9 -31.7(3) . . . . ?
C1 P1 C2 C3 34.7(2) . . . . ?
C1 P1 C2 C7 -147.7(2) . . . . ?
C24 C26 C27 O8 -8.7(6) . . . . ?
C24 C26 C27 C28 171.5(4) . . . . ?
C8 P1 O1 Dy1 50.3(4) . . . . ?
C8 P1 C1 C1 -70.1(4) . . . 2_666 ?
C8 P1 C2 C3 -80.3(2) . . . . ?
C8 P1 C2 C7 97.3(2) . . . . ?
C8 C13 C12 C11 0.6(5) . . . . ?
C8 C9 C10 C11 -0.4(7) . . . . ?
C13 C8 C9 C10 1.0(6) . . . . ?
C13 C12 C11 C10 0.0(6) . . . . ?
C19 C21 C22 O6 3.0(6) . . . . ?
C19 C21 C22 C23 -176.3(4) . . . . ?
C9 C8 C13 C12 -1.2(5) . . . . ?
C12 C11 C10 C9 -0.2(7) . . . . ?
C25 C24 C26 C27 -178.4(4) . . . . ?
C20 C19 C21 C22 174.3(4) . . . . ?
C18 C17 C16 C14 179.4(4) . . . . ?
C15 C14 C16 C17 178.3(4) . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
C2 P1 O1 Dy1 168.4(3) . . . . ?
C2 P1 C1 C1 176.5(3) . . . 2_666 ?
C2 P1 C8 C13 -92.5(3) . . . . ?
C2 P1 C8 C9 83.1(3) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C2 C7 C6 C5 0.0 . . . . ?
C7 C6 C5 C4 0.0 . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C4 C3 C2 P1 177.5(2) . . . . ?
C4 C3 C2 C7 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.390
_oxdiff_exptl_absorpt_empirical_full_min 0.921
####################################################################### 
# 
# 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_czw-284f_auto
_database_code_depnum_ccdc_archive 'CCDC 2181175'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2022-10-12 deposited with the CCDC.	2022-11-15 downloaded from the CCDC.
;
_audit_creation_date             2022-08-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C56 H70 Eu2 O16 P2'
_chemical_formula_sum            'C56 H70 Eu2 O16 P2'
_chemical_formula_weight         1364.98
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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'

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

_cell_length_a                   11.1109(7)
_cell_length_b                   12.2670(8)
_cell_length_c                   12.2742(9)
_cell_angle_alpha                116.611(7)
_cell_angle_beta                 94.872(6)
_cell_angle_gamma                90.557(5)
_cell_volume                     1488.18(19)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    6283
_cell_measurement_temperature    298
_cell_measurement_theta_max      28.7920
_cell_measurement_theta_min      3.2510
_shelx_estimated_absorpt_T_max   0.667
_shelx_estimated_absorpt_T_min   0.557
_exptl_absorpt_coefficient_mu    2.206
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             690
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0658
_diffrn_reflns_av_unetI/netI     0.1012
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10617
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         3.173
_diffrn_ambient_temperature      298.00
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -43.00  31.00   1.00   24.24    --  -16.68  77.00 -60.00   74
  2  ω     42.00  69.00   1.00   24.24    --   16.76 178.00   0.00   27
  3  ω      4.00  86.00   1.00   24.24    --   16.76  38.00  60.00   82
  4  ω    -10.00  15.00   1.00   24.24    --   16.76  77.00 150.00   25
  5  ω     -8.00  32.00   1.00   24.24    --   16.76  77.00 -90.00   40
  6  ω      8.00  84.00   1.00   24.24    --   16.76  57.00-180.00   76
  7  ω     26.00  76.00   1.00   24.24    --   16.76  38.00 120.00   50
  8  ω     29.00  54.00   1.00   24.24    --   16.76 -99.00  60.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0479700000
_diffrn_orient_matrix_UB_12      -0.0155135000
_diffrn_orient_matrix_UB_13      -0.0380567000
_diffrn_orient_matrix_UB_21      0.0334497000
_diffrn_orient_matrix_UB_22      -0.0185169000
_diffrn_orient_matrix_UB_23      0.0401282000
_diffrn_orient_matrix_UB_31      -0.0263984000
_diffrn_orient_matrix_UB_32      -0.0600933000
_diffrn_orient_matrix_UB_33      -0.0340724000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3930
_reflns_number_total             5236
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.621
_refine_diff_density_min         -1.436
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         5236
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0804
_refine_ls_R_factor_gt           0.0535
_refine_ls_restrained_S_all      0.961
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0614P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1177
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C26(H26), C16(H16), C21(H21),
 C13(H13), C10(H10), C11(H11), C12(H12)
2.c Fitted hexagon refined as free rotating group:
 C2(C3,C4,C5,C6,C7)
2.d X=CH2 refined with riding coordinates:
 O2(H2A,H2B)
2.e Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C23(H23A,H23B,H23C), C15(H15A,H15B,H15C), C18(H18A,H18B,
 H18C), C20(H20A,H20B,H20C), C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.82273(3) 0.44659(3) 0.28647(3) 0.02665(14) Uani 1 1 d . . . . .
P1 P 0.56103(17) 0.63586(15) 0.44258(16) 0.0283(4) Uani 1 1 d . . . . .
O2 O 0.8600(4) 0.4604(4) 0.4932(4) 0.0309(12) Uani 1 1 d . . . . .
H2A H 0.877239 0.536012 0.560700 0.046 Uiso 1 1 calc R U . . .
H2B H 0.856779 0.389922 0.503743 0.046 Uiso 1 1 calc R U . . .
O3 O 0.9532(4) 0.6290(4) 0.4055(5) 0.0403(13) Uani 1 1 d . . . . .
O6 O 1.0222(4) 0.3731(4) 0.2883(4) 0.0405(14) Uani 1 1 d . . . . .
O7 O 0.7899(5) 0.2520(4) 0.2795(5) 0.0423(14) Uani 1 1 d . . . . .
O8 O 0.6276(5) 0.3648(4) 0.1876(5) 0.0458(15) Uani 1 1 d . . . . .
O1 O 0.6799(4) 0.5893(4) 0.3998(4) 0.0382(13) Uani 1 1 d . . . . .
O5 O 0.8593(5) 0.3163(4) 0.0829(4) 0.0444(14) Uani 1 1 d . . . . .
O4 O 0.8136(5) 0.5685(4) 0.1847(5) 0.0448(14) Uani 1 1 d . . . . .
C2 C 0.5758(5) 0.7983(3) 0.5353(5) 0.0336(18) Uani 1 1 d G . . . .
C3 C 0.6684(5) 0.8610(5) 0.5137(6) 0.072(3) Uani 1 1 d G . . . .
H3 H 0.720977 0.818383 0.455720 0.086 Uiso 1 1 calc R U . . .
C4 C 0.6823(6) 0.9875(5) 0.5788(7) 0.085(4) Uani 1 1 d G . . . .
H4 H 0.744202 1.029414 0.564386 0.102 Uiso 1 1 calc R U . . .
C5 C 0.6037(7) 1.0512(3) 0.6655(6) 0.076(3) Uani 1 1 d G . . . .
H5 H 0.612982 1.135790 0.709051 0.091 Uiso 1 1 calc R U . . .
C6 C 0.5111(7) 0.9885(5) 0.6871(6) 0.119(6) Uani 1 1 d G . . . .
H6 H 0.458535 1.031135 0.745050 0.143 Uiso 1 1 calc R U . . .
C7 C 0.4972(6) 0.8621(5) 0.6220(6) 0.094(4) Uani 1 1 d G . . . .
H7 H 0.435307 0.820103 0.636385 0.113 Uiso 1 1 calc R U . . .
C1 C 0.5039(7) 0.5704(6) 0.5344(6) 0.0330(18) Uani 1 1 d . . . . .
H1A H 0.556759 0.596896 0.609826 0.040 Uiso 1 1 calc R U . . .
H1B H 0.424238 0.599379 0.555699 0.040 Uiso 1 1 calc R U . . .
C27 C 0.9665(7) 0.7307(7) 0.4022(7) 0.0389(19) Uani 1 1 d . . . . .
C8 C 0.4449(6) 0.6104(6) 0.3187(6) 0.0275(16) Uani 1 1 d . . . . .
C9 C 0.4797(7) 0.6002(6) 0.2100(7) 0.0388(19) Uani 1 1 d . . . . .
H9 H 0.561335 0.598844 0.198153 0.047 Uiso 1 1 calc R U . . .
C26 C 0.9176(7) 0.7555(7) 0.3106(8) 0.044(2) Uani 1 1 d . . . . .
H26 H 0.933309 0.833553 0.318674 0.053 Uiso 1 1 calc R U . . .
C24 C 0.8462(8) 0.6740(7) 0.2058(8) 0.045(2) Uani 1 1 d . . . . .
C17 C 0.7326(8) 0.1570(6) 0.1993(8) 0.045(2) Uani 1 1 d . . . . .
C19 C 1.0679(7) 0.2762(7) 0.2161(7) 0.041(2) Uani 1 1 d . . . . .
C14 C 0.5816(7) 0.2584(7) 0.1269(7) 0.046(2) Uani 1 1 d . . . . .
C16 C 0.6333(8) 0.1544(7) 0.1227(7) 0.045(2) Uani 1 1 d . . . . .
H16 H 0.599132 0.078785 0.065132 0.054 Uiso 1 1 calc R U . . .
C21 C 1.0215(8) 0.2006(7) 0.0939(7) 0.048(2) Uani 1 1 d . . . . .
H21 H 1.060476 0.129430 0.050065 0.057 Uiso 1 1 calc R U . . .
C13 C 0.3250(7) 0.6088(8) 0.3350(8) 0.050(2) Uani 1 1 d . . . . .
H13 H 0.301119 0.614752 0.408172 0.060 Uiso 1 1 calc R U . . .
C22 C 0.9219(8) 0.2256(7) 0.0355(7) 0.044(2) Uani 1 1 d . . . . .
C10 C 0.3941(9) 0.5919(7) 0.1189(7) 0.052(2) Uani 1 1 d . . . . .
H10 H 0.418437 0.587619 0.046448 0.062 Uiso 1 1 calc R U . . .
C11 C 0.2738(9) 0.5899(7) 0.1331(8) 0.052(2) Uani 1 1 d . . . . .
H11 H 0.216509 0.582842 0.070140 0.063 Uiso 1 1 calc R U . . .
C28 C 1.0403(10) 0.8296(8) 0.5121(9) 0.071(3) Uani 1 1 d . . . . .
H28A H 1.007138 0.839875 0.585579 0.106 Uiso 1 1 calc R U . . .
H28B H 1.038038 0.904978 0.506078 0.106 Uiso 1 1 calc R U . . .
H28C H 1.122508 0.806718 0.514214 0.106 Uiso 1 1 calc R U . . .
C23 C 0.8848(9) 0.1394(8) -0.0976(7) 0.066(3) Uani 1 1 d . . . . .
H23A H 0.809651 0.096480 -0.104512 0.099 Uiso 1 1 calc R U . . .
H23B H 0.946110 0.081840 -0.129214 0.099 Uiso 1 1 calc R U . . .
H23C H 0.875149 0.185179 -0.143691 0.099 Uiso 1 1 calc R U . . .
C12 C 0.2379(8) 0.5982(9) 0.2401(9) 0.065(3) Uani 1 1 d . . . . .
H12 H 0.155942 0.596884 0.250220 0.078 Uiso 1 1 calc R U . . .
C15 C 0.4632(8) 0.2425(8) 0.0510(9) 0.070(3) Uani 1 1 d . . . . .
H15A H 0.405392 0.293623 0.102021 0.105 Uiso 1 1 calc R U . . .
H15B H 0.433713 0.158712 0.015556 0.105 Uiso 1 1 calc R U . . .
H15C H 0.474736 0.265028 -0.013043 0.105 Uiso 1 1 calc R U . . .
C18 C 0.7803(9) 0.0371(7) 0.1888(9) 0.069(3) Uani 1 1 d . . . . .
H18A H 0.864082 0.033825 0.174323 0.104 Uiso 1 1 calc R U . . .
H18B H 0.734859 -0.029925 0.121881 0.104 Uiso 1 1 calc R U . . .
H18C H 0.772090 0.031700 0.263467 0.104 Uiso 1 1 calc R U . . .
C20 C 1.1858(8) 0.2447(9) 0.2645(9) 0.072(3) Uani 1 1 d . . . . .
H20A H 1.249729 0.300799 0.270324 0.108 Uiso 1 1 calc R U . . .
H20B H 1.204345 0.163020 0.209732 0.108 Uiso 1 1 calc R U . . .
H20C H 1.177942 0.250202 0.344086 0.108 Uiso 1 1 calc R U . . .
C25 C 0.8065(11) 0.7139(9) 0.1101(10) 0.089(4) Uani 1 1 d . . . . .
H25A H 0.864914 0.692142 0.051412 0.134 Uiso 1 1 calc R U . . .
H25B H 0.799833 0.800855 0.148175 0.134 Uiso 1 1 calc R U . . .
H25C H 0.729358 0.674429 0.069405 0.134 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 O2 2.465(5) . ?
Eu1 O3 2.427(5) . ?
Eu1 O6 2.403(5) . ?
Eu1 O7 2.374(5) . ?
Eu1 O8 2.366(5) . ?
Eu1 O1 2.401(5) . ?
Eu1 O5 2.360(5) . ?
Eu1 O4 2.338(5) . ?
P1 O1 1.487(5) . ?
P1 C2 1.795(4) . ?
P1 C1 1.800(7) . ?
P1 C8 1.819(7) . ?
O2 H2A 0.9300 . ?
O2 H2B 0.9300 . ?
O3 C27 1.274(9) . ?
O6 C19 1.265(8) . ?
O7 C17 1.258(8) . ?
O8 C14 1.253(8) . ?
O5 C22 1.251(9) . ?
O4 C24 1.244(9) . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 H3 0.9300 . ?
C3 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 H7 0.9300 . ?
C1 C1 1.544(13) 2_666 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C27 C26 1.363(11) . ?
C27 C28 1.513(11) . ?
C8 C9 1.372(10) . ?
C8 C13 1.365(10) . ?
C9 H9 0.9300 . ?
C9 C10 1.372(11) . ?
C26 H26 0.9300 . ?
C26 C24 1.394(11) . ?
C24 C25 1.499(12) . ?
C17 C16 1.377(11) . ?
C17 C18 1.523(11) . ?
C19 C21 1.410(10) . ?
C19 C20 1.517(11) . ?
C14 C16 1.386(11) . ?
C14 C15 1.504(10) . ?
C16 H16 0.9300 . ?
C21 H21 0.9300 . ?
C21 C22 1.380(11) . ?
C13 H13 0.9300 . ?
C13 C12 1.408(11) . ?
C22 C23 1.512(10) . ?
C10 H10 0.9300 . ?
C10 C11 1.364(12) . ?
C11 H11 0.9300 . ?
C11 C12 1.365(13) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C12 H12 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?

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
O3 Eu1 O2 73.94(16) . . ?
O6 Eu1 O2 76.65(16) . . ?
O6 Eu1 O3 75.28(16) . . ?
O7 Eu1 O2 69.59(16) . . ?
O7 Eu1 O3 137.55(17) . . ?
O7 Eu1 O6 75.83(18) . . ?
O7 Eu1 O1 112.30(18) . . ?
O8 Eu1 O2 114.26(18) . . ?
O8 Eu1 O3 146.82(17) . . ?
O8 Eu1 O6 137.22(16) . . ?
O8 Eu1 O7 70.81(17) . . ?
O8 Eu1 O1 72.73(16) . . ?
O1 Eu1 O2 76.68(16) . . ?
O1 Eu1 O3 78.66(16) . . ?
O1 Eu1 O6 146.83(16) . . ?
O5 Eu1 O2 139.59(16) . . ?
O5 Eu1 O3 119.45(19) . . ?
O5 Eu1 O6 71.49(16) . . ?
O5 Eu1 O7 78.90(19) . . ?
O5 Eu1 O8 76.39(19) . . ?
O5 Eu1 O1 140.64(17) . . ?
O4 Eu1 O2 141.44(15) . . ?
O4 Eu1 O3 71.54(17) . . ?
O4 Eu1 O6 110.0(2) . . ?
O4 Eu1 O7 148.72(17) . . ?
O4 Eu1 O8 87.13(19) . . ?
O4 Eu1 O1 80.19(19) . . ?
O4 Eu1 O5 74.41(18) . . ?
O1 P1 C2 109.8(3) . . ?
O1 P1 C1 112.4(3) . . ?
O1 P1 C8 113.5(3) . . ?
C2 P1 C1 107.3(3) . . ?
C2 P1 C8 105.6(3) . . ?
C1 P1 C8 107.9(3) . . ?
Eu1 O2 H2A 120.0 . . ?
Eu1 O2 H2B 120.0 . . ?
H2A O2 H2B 120.0 . . ?
C27 O3 Eu1 133.7(5) . . ?
C19 O6 Eu1 131.8(5) . . ?
C17 O7 Eu1 130.6(5) . . ?
C14 O8 Eu1 133.9(5) . . ?
P1 O1 Eu1 158.3(3) . . ?
C22 O5 Eu1 133.7(5) . . ?
C24 O4 Eu1 138.0(5) . . ?
C3 C2 P1 116.9(3) . . ?
C3 C2 C7 120.0 . . ?
C7 C2 P1 123.1(3) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 H6 120.0 . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 H7 120.0 . . ?
P1 C1 H1A 109.4 . . ?
P1 C1 H1B 109.4 . . ?
C1 C1 P1 111.3(7) 2_666 . ?
C1 C1 H1A 109.4 2_666 . ?
C1 C1 H1B 109.4 2_666 . ?
H1A C1 H1B 108.0 . . ?
O3 C27 C26 125.1(7) . . ?
O3 C27 C28 115.3(7) . . ?
C26 C27 C28 119.7(7) . . ?
C9 C8 P1 118.8(6) . . ?
C13 C8 P1 121.0(6) . . ?
C13 C8 C9 120.1(7) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0(8) . . ?
C10 C9 H9 120.0 . . ?
C27 C26 H26 117.2 . . ?
C27 C26 C24 125.6(7) . . ?
C24 C26 H26 117.2 . . ?
O4 C24 C26 124.5(8) . . ?
O4 C24 C25 116.9(8) . . ?
C26 C24 C25 118.6(8) . . ?
O7 C17 C16 125.4(7) . . ?
O7 C17 C18 115.4(7) . . ?
C16 C17 C18 119.2(7) . . ?
O6 C19 C21 125.2(7) . . ?
O6 C19 C20 116.3(7) . . ?
C21 C19 C20 118.4(7) . . ?
O8 C14 C16 124.7(7) . . ?
O8 C14 C15 117.5(8) . . ?
C16 C14 C15 117.8(7) . . ?
C17 C16 C14 123.6(7) . . ?
C17 C16 H16 118.2 . . ?
C14 C16 H16 118.2 . . ?
C19 C21 H21 118.0 . . ?
C22 C21 C19 124.1(7) . . ?
C22 C21 H21 118.0 . . ?
C8 C13 H13 120.3 . . ?
C8 C13 C12 119.4(8) . . ?
C12 C13 H13 120.3 . . ?
O5 C22 C21 125.3(7) . . ?
O5 C22 C23 116.0(7) . . ?
C21 C22 C23 118.7(7) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.8(8) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.7(8) . . ?
C12 C11 H11 120.1 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C13 C12 H12 120.1 . . ?
C11 C12 C13 119.9(8) . . ?
C11 C12 H12 120.1 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O3 C27 C26 -11.1(12) . . . . ?
Eu1 O3 C27 C28 167.3(6) . . . . ?
Eu1 O6 C19 C21 20.0(13) . . . . ?
Eu1 O6 C19 C20 -163.6(6) . . . . ?
Eu1 O7 C17 C16 -30.4(13) . . . . ?
Eu1 O7 C17 C18 149.4(7) . . . . ?
Eu1 O8 C14 C16 14.2(14) . . . . ?
Eu1 O8 C14 C15 -164.4(7) . . . . ?
Eu1 O5 C22 C21 -24.3(13) . . . . ?
Eu1 O5 C22 C23 157.1(6) . . . . ?
Eu1 O4 C24 C26 6.8(14) . . . . ?
Eu1 O4 C24 C25 -174.1(7) . . . . ?
P1 C2 C3 C4 177.5(4) . . . . ?
P1 C2 C7 C6 -177.4(5) . . . . ?
P1 C8 C9 C10 -174.2(6) . . . . ?
P1 C8 C13 C12 175.2(7) . . . . ?
O3 C27 C26 C24 -0.5(14) . . . . ?
O6 C19 C21 C22 2.7(15) . . . . ?
O7 C17 C16 C14 -1.6(15) . . . . ?
O8 C14 C16 C17 10.2(15) . . . . ?
O1 P1 C2 C3 26.1(5) . . . . ?
O1 P1 C2 C7 -156.5(4) . . . . ?
O1 P1 C1 C1 -55.4(8) . . . 2_666 ?
O1 P1 C8 C9 -26.0(6) . . . . ?
O1 P1 C8 C13 158.0(6) . . . . ?
C2 P1 O1 Eu1 -171.2(8) . . . . ?
C2 P1 C1 C1 -176.2(6) . . . 2_666 ?
C2 P1 C8 C9 94.3(6) . . . . ?
C2 P1 C8 C13 -81.7(7) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C6 C7 C2 0.0 . . . . ?
C7 C2 C3 C4 0.0 . . . . ?
C1 P1 O1 Eu1 69.5(9) . . . . ?
C1 P1 C2 C3 148.4(4) . . . . ?
C1 P1 C2 C7 -34.1(5) . . . . ?
C1 P1 C8 C9 -151.2(5) . . . . ?
C1 P1 C8 C13 32.8(7) . . . . ?
C27 C26 C24 O4 3.1(14) . . . . ?
C27 C26 C24 C25 -176.0(9) . . . . ?
C8 P1 O1 Eu1 -53.3(10) . . . . ?
C8 P1 C2 C3 -96.7(4) . . . . ?
C8 P1 C2 C7 80.8(5) . . . . ?
C8 P1 C1 C1 70.5(8) . . . 2_666 ?
C8 C9 C10 C11 -2.0(12) . . . . ?
C8 C13 C12 C11 -0.1(14) . . . . ?
C9 C8 C13 C12 -0.8(12) . . . . ?
C9 C10 C11 C12 1.1(13) . . . . ?
C19 C21 C22 O5 -1.2(15) . . . . ?
C19 C21 C22 C23 177.4(9) . . . . ?
C13 C8 C9 C10 1.9(11) . . . . ?
C10 C11 C12 C13 0.0(14) . . . . ?
C28 C27 C26 C24 -178.7(9) . . . . ?
C15 C14 C16 C17 -171.2(9) . . . . ?
C18 C17 C16 C14 178.6(9) . . . . ?
C20 C19 C21 C22 -173.5(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.913
_oxdiff_exptl_absorpt_empirical_full_min 0.673
####################################################################### 
# 
# 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_czw-253_auto
_database_code_depnum_ccdc_archive 'CCDC 2181174'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2022-10-12 deposited with the CCDC.	2022-11-15 downloaded from the CCDC.
;
_audit_creation_date             2022-08-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C56 H70 Gd2 O16 P2'
_chemical_formula_sum            'C56 H70 Gd2 O16 P2'
_chemical_formula_weight         1375.56
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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'

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

_cell_length_a                   11.0947(6)
_cell_length_b                   12.2688(7)
_cell_length_c                   12.3032(7)
_cell_angle_alpha                116.703(6)
_cell_angle_beta                 94.714(4)
_cell_angle_gamma                90.564(4)
_cell_volume                     1488.97(16)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4811
_cell_measurement_temperature    298
_cell_measurement_theta_max      28.0610
_cell_measurement_theta_min      3.6670
_shelx_estimated_absorpt_T_max   0.801
_shelx_estimated_absorpt_T_min   0.542
_exptl_absorpt_coefficient_mu    2.326
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.33600
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             692
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0685
_diffrn_reflns_av_unetI/netI     0.1233
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9066
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.172
_diffrn_ambient_temperature      298.00
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -1.00  86.00   1.00   18.50    --   16.76  38.00-150.00   87
  2  ω    -10.00  37.00   1.00   18.50    --   16.76  77.00 -60.00   47
  3  ω     -7.00  39.00   1.00   18.50    --   16.76  77.00  60.00   46
  4  ω     39.00  88.00   1.00   18.50    --   16.76 178.00  60.00   49
  5  ω    -55.00  39.00   1.00   18.50    --   16.76 -19.00  30.00   94
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0352153000
_diffrn_orient_matrix_UB_12      -0.0550653000
_diffrn_orient_matrix_UB_13      -0.0184086000
_diffrn_orient_matrix_UB_21      0.0529562000
_diffrn_orient_matrix_UB_22      -0.0335730000
_diffrn_orient_matrix_UB_23      -0.0149268000
_diffrn_orient_matrix_UB_31      0.0090458000
_diffrn_orient_matrix_UB_32      0.0063517000
_diffrn_orient_matrix_UB_33      0.0603537000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3721
_reflns_number_total             5192
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.052
_refine_diff_density_min         -0.878
_refine_diff_density_rms         0.136
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.907
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         5192
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0775
_refine_ls_R_factor_gt           0.0443
_refine_ls_restrained_S_all      0.907
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0114P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0510
_refine_ls_wR_factor_ref         0.0544
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C13(H13), C26(H26), C16(H16), C9(H9),
 C12(H12), C21(H21), C11(H11), C10(H10)
2.c Fitted hexagon refined as free rotating group:
 C2(C3,C4,C5,C6,C7)
2.d X=CH2 refined with riding coordinates:
 O2(H2A,H2B)
2.e Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C18(H18A,H18B,H18C), C25(H25A,H25B,H25C), C20(H20A,H20B,
 H20C), C15(H15A,H15B,H15C), C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.82290(3) 0.44662(3) 0.28677(2) 0.02406(9) Uani 1 1 d . . . . .
P1 P 0.56118(13) 0.63591(12) 0.44258(12) 0.0267(4) Uani 1 1 d . . . . .
O3 O 0.6271(3) 0.3655(3) 0.1875(3) 0.0417(10) Uani 1 1 d . . . . .
O1 O 0.6806(3) 0.5883(3) 0.4000(2) 0.0300(9) Uani 1 1 d . . . . .
O6 O 1.0221(3) 0.3739(3) 0.2891(3) 0.0367(10) Uani 1 1 d . . . . .
O7 O 0.9532(3) 0.6287(3) 0.4058(3) 0.0349(9) Uani 1 1 d . . . . .
O2 O 0.8587(3) 0.4601(3) 0.4914(2) 0.0283(9) Uani 1 1 d . . . . .
H2A H 0.874338 0.535863 0.559097 0.042 Uiso 1 1 calc R U . . .
H2B H 0.856660 0.389425 0.501581 0.042 Uiso 1 1 calc R U . . .
O5 O 0.8586(3) 0.3170(3) 0.0841(3) 0.0392(10) Uani 1 1 d . . . . .
O4 O 0.7902(3) 0.2526(3) 0.2807(3) 0.0415(10) Uani 1 1 d . . . . .
O8 O 0.8119(3) 0.5676(3) 0.1848(3) 0.0410(10) Uani 1 1 d . . . . .
C24 C 0.9660(5) 0.7302(5) 0.4045(5) 0.0367(15) Uani 1 1 d . . . . .
C1 C 0.5035(5) 0.5700(3) 0.5338(4) 0.0317(14) Uani 1 1 d . . . . .
H1A H 0.555745 0.597092 0.609362 0.038 Uiso 1 1 calc R U . . .
H1B H 0.423400 0.598607 0.554455 0.038 Uiso 1 1 calc R U . . .
C2 C 0.5762(4) 0.7981(2) 0.5343(3) 0.0275(13) Uani 1 1 d G . . . .
C3 C 0.6690(3) 0.8607(4) 0.5127(3) 0.068(2) Uani 1 1 d G . . . .
H3 H 0.721520 0.818047 0.454493 0.081 Uiso 1 1 calc R U . . .
C4 C 0.6831(4) 0.9872(4) 0.5782(4) 0.085(2) Uani 1 1 d G . . . .
H4 H 0.745168 1.029129 0.563724 0.102 Uiso 1 1 calc R U . . .
C5 C 0.6046(5) 1.0510(2) 0.6652(4) 0.073(2) Uani 1 1 d G . . . .
H5 H 0.614055 1.135645 0.708950 0.088 Uiso 1 1 calc R U . . .
C6 C 0.5119(4) 0.9884(4) 0.6867(3) 0.115(3) Uani 1 1 d G . . . .
H6 H 0.459294 1.031078 0.744946 0.138 Uiso 1 1 calc R U . . .
C7 C 0.4977(3) 0.8619(4) 0.6213(4) 0.088(3) Uani 1 1 d G . . . .
H7 H 0.435645 0.819996 0.635715 0.105 Uiso 1 1 calc R U . . .
C17 C 0.7336(6) 0.1570(5) 0.1998(5) 0.0427(16) Uani 1 1 d . . . . .
C27 C 0.8460(5) 0.6736(5) 0.2065(5) 0.0409(16) Uani 1 1 d . . . . .
C13 C 0.4817(5) 0.6009(4) 0.2104(4) 0.0364(15) Uani 1 1 d . . . . .
H13 H 0.563516 0.600106 0.198622 0.044 Uiso 1 1 calc R U . . .
C8 C 0.4461(5) 0.6110(4) 0.3201(4) 0.0263(13) Uani 1 1 d . . . . .
C26 C 0.9180(5) 0.7554(5) 0.3108(5) 0.0424(16) Uani 1 1 d . . . . .
H26 H 0.935277 0.832825 0.318146 0.051 Uiso 1 1 calc R U . . .
C22 C 1.0683(5) 0.2769(5) 0.2166(5) 0.0376(15) Uani 1 1 d . . . . .
C16 C 0.6334(6) 0.1548(5) 0.1237(5) 0.0467(17) Uani 1 1 d . . . . .
H16 H 0.598613 0.079127 0.066989 0.056 Uiso 1 1 calc R U . . .
C14 C 0.5816(5) 0.2591(6) 0.1270(5) 0.0421(15) Uani 1 1 d . . . . .
C9 C 0.3249(5) 0.6076(5) 0.3344(5) 0.0492(17) Uani 1 1 d . . . . .
H9 H 0.300198 0.612584 0.406821 0.059 Uiso 1 1 calc R U . . .
C12 C 0.3954(6) 0.5919(5) 0.1192(5) 0.0430(16) Uani 1 1 d . . . . .
H12 H 0.419541 0.586706 0.046486 0.052 Uiso 1 1 calc R U . . .
C21 C 1.0211(5) 0.2011(5) 0.0968(5) 0.0447(17) Uani 1 1 d . . . . .
H21 H 1.057929 0.128083 0.054259 0.054 Uiso 1 1 calc R U . . .
C19 C 0.9223(5) 0.2274(5) 0.0365(5) 0.0391(15) Uani 1 1 d . . . . .
C23 C 1.1843(5) 0.2460(5) 0.2644(5) 0.068(2) Uani 1 1 d . . . . .
H23A H 1.247909 0.303551 0.272533 0.102 Uiso 1 1 calc R U . . .
H23B H 1.204319 0.165125 0.208567 0.102 Uiso 1 1 calc R U . . .
H23C H 1.175366 0.249332 0.342777 0.102 Uiso 1 1 calc R U . . .
C18 C 0.7791(5) 0.0369(5) 0.1898(5) 0.0660(19) Uani 1 1 d . . . . .
H18A H 0.860945 0.029167 0.168398 0.099 Uiso 1 1 calc R U . . .
H18B H 0.728664 -0.029543 0.127783 0.099 Uiso 1 1 calc R U . . .
H18C H 0.776395 0.035211 0.266770 0.099 Uiso 1 1 calc R U . . .
C11 C 0.2758(6) 0.5906(5) 0.1341(5) 0.0537(18) Uani 1 1 d . . . . .
H11 H 0.218526 0.585389 0.072107 0.064 Uiso 1 1 calc R U . . .
C25 C 1.0430(6) 0.8285(5) 0.5106(5) 0.074(2) Uani 1 1 d . . . . .
H25A H 1.012694 0.840309 0.585769 0.111 Uiso 1 1 calc R U . . .
H25B H 1.040235 0.903432 0.503814 0.111 Uiso 1 1 calc R U . . .
H25C H 1.125106 0.804428 0.509696 0.111 Uiso 1 1 calc R U . . .
C20 C 0.8836(5) 0.1406(5) -0.0975(4) 0.068(2) Uani 1 1 d . . . . .
H20A H 0.800895 0.111843 -0.105751 0.101 Uiso 1 1 calc R U . . .
H20B H 0.934539 0.072320 -0.124770 0.101 Uiso 1 1 calc R U . . .
H20C H 0.890877 0.182929 -0.146121 0.101 Uiso 1 1 calc R U . . .
C15 C 0.4612(5) 0.2442(5) 0.0519(5) 0.067(2) Uani 1 1 d . . . . .
H15A H 0.415002 0.314470 0.092982 0.101 Uiso 1 1 calc R U . . .
H15B H 0.416956 0.172296 0.042366 0.101 Uiso 1 1 calc R U . . .
H15C H 0.475670 0.236365 -0.027092 0.101 Uiso 1 1 calc R U . . .
C10 C 0.2390(5) 0.5968(5) 0.2404(5) 0.062(2) Uani 1 1 d . . . . .
H10 H 0.156897 0.593866 0.249805 0.074 Uiso 1 1 calc R U . . .
C28 C 0.8066(6) 0.7124(5) 0.1097(5) 0.086(3) Uani 1 1 d . . . . .
H28A H 0.831056 0.654204 0.032515 0.130 Uiso 1 1 calc R U . . .
H28B H 0.843420 0.791420 0.131153 0.130 Uiso 1 1 calc R U . . .
H28C H 0.720038 0.716217 0.103552 0.130 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
Gd1 O3 2.373(3) . ?
Gd1 O1 2.386(3) . ?
Gd1 O6 2.395(3) . ?
Gd1 O7 2.423(3) . ?
Gd1 O2 2.447(2) . ?
Gd1 O5 2.348(3) . ?
Gd1 O4 2.371(3) . ?
Gd1 O8 2.334(3) . ?
P1 O1 1.492(3) . ?
P1 C1 1.801(4) . ?
P1 C2 1.790(3) . ?
P1 C8 1.805(5) . ?
O3 C14 1.251(6) . ?
O6 C22 1.268(5) . ?
O7 C24 1.259(5) . ?
O2 H2A 0.9300 . ?
O2 H2B 0.9300 . ?
O5 C19 1.248(5) . ?
O4 C17 1.263(6) . ?
O8 C27 1.252(6) . ?
C24 C26 1.389(6) . ?
C24 C25 1.507(6) . ?
C1 C1 1.534(8) 2_666 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 H3 0.9300 . ?
C3 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 H7 0.9300 . ?
C17 C16 1.385(7) . ?
C17 C18 1.517(7) . ?
C27 C26 1.396(7) . ?
C27 C28 1.505(6) . ?
C13 H13 0.9300 . ?
C13 C8 1.389(6) . ?
C13 C12 1.378(6) . ?
C8 C9 1.373(6) . ?
C26 H26 0.9300 . ?
C22 C21 1.394(6) . ?
C22 C23 1.494(6) . ?
C16 H16 0.9300 . ?
C16 C14 1.393(7) . ?
C14 C15 1.521(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.393(6) . ?
C12 H12 0.9300 . ?
C12 C11 1.356(7) . ?
C21 H21 0.9300 . ?
C21 C19 1.395(6) . ?
C19 C20 1.527(6) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C11 H11 0.9300 . ?
C11 C10 1.372(7) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C10 H10 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?

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
O3 Gd1 O1 72.67(11) . . ?
O3 Gd1 O6 137.60(12) . . ?
O3 Gd1 O7 146.63(11) . . ?
O3 Gd1 O2 114.31(11) . . ?
O1 Gd1 O6 146.51(10) . . ?
O1 Gd1 O7 78.69(11) . . ?
O1 Gd1 O2 76.39(9) . . ?
O6 Gd1 O7 75.05(11) . . ?
O6 Gd1 O2 76.66(10) . . ?
O7 Gd1 O2 73.99(10) . . ?
O5 Gd1 O3 76.02(12) . . ?
O5 Gd1 O1 140.42(10) . . ?
O5 Gd1 O6 72.07(11) . . ?
O5 Gd1 O7 119.70(12) . . ?
O5 Gd1 O2 139.92(10) . . ?
O5 Gd1 O4 79.26(11) . . ?
O4 Gd1 O3 71.29(12) . . ?
O4 Gd1 O1 112.01(11) . . ?
O4 Gd1 O6 75.90(12) . . ?
O4 Gd1 O7 137.21(11) . . ?
O4 Gd1 O2 69.19(10) . . ?
O8 Gd1 O3 86.18(12) . . ?
O8 Gd1 O1 80.14(11) . . ?
O8 Gd1 O6 110.51(12) . . ?
O8 Gd1 O7 72.17(11) . . ?
O8 Gd1 O2 141.83(10) . . ?
O8 Gd1 O5 74.16(12) . . ?
O8 Gd1 O4 148.61(11) . . ?
O1 P1 C1 111.9(2) . . ?
O1 P1 C2 109.9(2) . . ?
O1 P1 C8 113.7(2) . . ?
C1 P1 C8 107.8(2) . . ?
C2 P1 C1 107.79(18) . . ?
C2 P1 C8 105.34(19) . . ?
C14 O3 Gd1 133.4(4) . . ?
P1 O1 Gd1 158.6(2) . . ?
C22 O6 Gd1 131.7(3) . . ?
C24 O7 Gd1 134.1(3) . . ?
Gd1 O2 H2A 120.0 . . ?
Gd1 O2 H2B 120.0 . . ?
H2A O2 H2B 120.0 . . ?
C19 O5 Gd1 133.5(3) . . ?
C17 O4 Gd1 130.4(3) . . ?
C27 O8 Gd1 137.1(3) . . ?
O7 C24 C26 124.6(5) . . ?
O7 C24 C25 116.8(5) . . ?
C26 C24 C25 118.6(5) . . ?
P1 C1 H1A 109.3 . . ?
P1 C1 H1B 109.3 . . ?
C1 C1 P1 111.7(4) 2_666 . ?
C1 C1 H1A 109.3 2_666 . ?
C1 C1 H1B 109.3 2_666 . ?
H1A C1 H1B 107.9 . . ?
C3 C2 P1 117.2(3) . . ?
C3 C2 C7 120.0 . . ?
C7 C2 P1 122.8(3) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 H6 120.0 . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 H7 120.0 . . ?
O4 C17 C16 125.0(5) . . ?
O4 C17 C18 116.1(5) . . ?
C16 C17 C18 118.9(5) . . ?
O8 C27 C26 125.2(5) . . ?
O8 C27 C28 115.9(5) . . ?
C26 C27 C28 118.9(5) . . ?
C8 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C8 119.7(5) . . ?
C13 C8 P1 118.7(4) . . ?
C9 C8 P1 121.8(4) . . ?
C9 C8 C13 119.4(5) . . ?
C24 C26 C27 125.2(5) . . ?
C24 C26 H26 117.4 . . ?
C27 C26 H26 117.4 . . ?
O6 C22 C21 125.0(5) . . ?
O6 C22 C23 116.2(5) . . ?
C21 C22 C23 118.8(5) . . ?
C17 C16 H16 118.0 . . ?
C17 C16 C14 124.0(5) . . ?
C14 C16 H16 118.0 . . ?
O3 C14 C16 124.7(5) . . ?
O3 C14 C15 116.8(5) . . ?
C16 C14 C15 118.4(5) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0(5) . . ?
C10 C9 H9 120.0 . . ?
C13 C12 H12 119.6 . . ?
C11 C12 C13 120.9(5) . . ?
C11 C12 H12 119.6 . . ?
C22 C21 H21 117.8 . . ?
C22 C21 C19 124.4(5) . . ?
C19 C21 H21 117.8 . . ?
O5 C19 C21 125.1(5) . . ?
O5 C19 C20 115.4(5) . . ?
C21 C19 C20 119.5(5) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C12 C11 H11 120.0 . . ?
C12 C11 C10 120.1(6) . . ?
C10 C11 H11 120.0 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.9(6) . . ?
C11 C10 H10 120.1 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Gd1 O3 C14 C16 14.4(8) . . . . ?
Gd1 O3 C14 C15 -165.3(3) . . . . ?
Gd1 O6 C22 C21 18.5(8) . . . . ?
Gd1 O6 C22 C23 -163.7(3) . . . . ?
Gd1 O7 C24 C26 -13.4(9) . . . . ?
Gd1 O7 C24 C25 169.1(4) . . . . ?
Gd1 O5 C19 C21 -21.0(9) . . . . ?
Gd1 O5 C19 C20 157.3(4) . . . . ?
Gd1 O4 C17 C16 -31.7(8) . . . . ?
Gd1 O4 C17 C18 150.0(4) . . . . ?
Gd1 O8 C27 C26 5.7(9) . . . . ?
Gd1 O8 C27 C28 -175.5(4) . . . . ?
P1 C2 C3 C4 178.0(2) . . . . ?
P1 C2 C7 C6 -177.9(3) . . . . ?
P1 C8 C9 C10 175.5(4) . . . . ?
O1 P1 C1 C1 -54.8(5) . . . 2_666 ?
O1 P1 C2 C3 26.3(3) . . . . ?
O1 P1 C2 C7 -155.8(2) . . . . ?
O1 P1 C8 C13 -26.5(5) . . . . ?
O1 P1 C8 C9 156.7(4) . . . . ?
O6 C22 C21 C19 6.0(10) . . . . ?
O7 C24 C26 C27 2.0(10) . . . . ?
O4 C17 C16 C14 -0.1(10) . . . . ?
O8 C27 C26 C24 2.2(10) . . . . ?
C1 P1 O1 Gd1 70.8(5) . . . . ?
C1 P1 C2 C3 148.5(2) . . . . ?
C1 P1 C2 C7 -33.6(3) . . . . ?
C1 P1 C8 C13 -151.2(4) . . . . ?
C1 P1 C8 C9 31.9(5) . . . . ?
C2 P1 O1 Gd1 -169.5(4) . . . . ?
C2 P1 C1 C1 -175.7(4) . . . 2_666 ?
C2 P1 C8 C13 93.9(4) . . . . ?
C2 P1 C8 C9 -83.0(5) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C6 C7 C2 0.0 . . . . ?
C7 C2 C3 C4 0.0 . . . . ?
C17 C16 C14 O3 9.2(10) . . . . ?
C17 C16 C14 C15 -171.0(5) . . . . ?
C13 C8 C9 C10 -1.4(8) . . . . ?
C13 C12 C11 C10 -0.7(9) . . . . ?
C8 P1 O1 Gd1 -51.7(6) . . . . ?
C8 P1 C1 C1 71.1(5) . . . 2_666 ?
C8 P1 C2 C3 -96.6(3) . . . . ?
C8 P1 C2 C7 81.3(3) . . . . ?
C8 C13 C12 C11 -1.2(8) . . . . ?
C8 C9 C10 C11 -0.5(9) . . . . ?
C22 C21 C19 O5 -5.4(10) . . . . ?
C22 C21 C19 C20 176.4(5) . . . . ?
C12 C13 C8 P1 -174.7(4) . . . . ?
C12 C13 C8 C9 2.3(8) . . . . ?
C12 C11 C10 C9 1.6(9) . . . . ?
C23 C22 C21 C19 -171.8(5) . . . . ?
C18 C17 C16 C14 178.1(5) . . . . ?
C25 C24 C26 C27 179.5(5) . . . . ?
C28 C27 C26 C24 -176.7(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.330
_oxdiff_exptl_absorpt_empirical_full_min 0.677
####################################################################### 
# 
# 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_czw-300-a_auto
_database_code_depnum_ccdc_archive 'CCDC 2181171'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2022-10-12 deposited with the CCDC.	2022-11-15 downloaded from the CCDC.
;
_audit_creation_date             2022-08-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C51 H72 Dy O7 P'
_chemical_formula_sum            'C51 H72 Dy O7 P'
_chemical_formula_weight         990.55
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   15.1425(7)
_cell_length_b                   19.2903(12)
_cell_length_c                   19.2838(9)
_cell_angle_alpha                90
_cell_angle_beta                 95.401(4)
_cell_angle_gamma                90
_cell_volume                     5607.9(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9812
_cell_measurement_temperature    298
_cell_measurement_theta_max      28.3390
_cell_measurement_theta_min      3.3310
_shelx_estimated_absorpt_T_max   0.872
_shelx_estimated_absorpt_T_min   0.678
_exptl_absorpt_coefficient_mu    1.403
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73038
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2060
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0928
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23229
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.901
_diffrn_ambient_temperature      298.00
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -29.00  25.00   1.00   23.41    --  -16.68  38.00-180.00   54
  2  ω    -36.00   9.00   1.00   23.41    --  -16.68 -77.00-180.00   45
  3  ω    -38.00   9.00   1.00   23.41    --  -16.68 -77.00 -30.00   47
  4  ω     -3.00  87.00   1.00   23.41    --   16.76  19.00  60.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0226381000
_diffrn_orient_matrix_UB_12      -0.0211867000
_diffrn_orient_matrix_UB_13      0.0259529000
_diffrn_orient_matrix_UB_21      0.0143528000
_diffrn_orient_matrix_UB_22      0.0300193000
_diffrn_orient_matrix_UB_23      0.0191162000
_diffrn_orient_matrix_UB_31      -0.0386769000
_diffrn_orient_matrix_UB_32      -0.0012943000
_diffrn_orient_matrix_UB_33      0.0180536000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6462
_reflns_number_total             9862
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.781
_refine_diff_density_min         -1.188
_refine_diff_density_rms         0.148
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     951
_refine_ls_number_reflns         9862
_refine_ls_number_restraints     1438
_refine_ls_R_factor_all          0.1200
_refine_ls_R_factor_gt           0.0854
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1521P)²+14.3488P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2483
_refine_ls_wR_factor_ref         0.2807
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H23D-C5A
 2.1 with sigma of 0.02
 C20A-C18A \\sim C19A-C18A \\sim C21A-C18A
 with sigma of 0.02
 C24A-C22A \\sim C25A-C22A \\sim C23A-C22A
 with sigma of 0.02
 C24A-C23A \\sim C25A-C23A \\sim C25A-C24A
 with sigma of 0.02
 C20A-C19A \\sim C21A-C19A \\sim C21A-C20A
 with sigma of 0.02
 C17-C15 \\sim C17-C16 \\sim C16-C15
 with sigma of 0.02
 Dy1-O4 \\sim Dy1-O5
 with sigma of 0.02
 C15A-C14A \\sim C17A-C14A \\sim C16A-C14A
 with sigma of 0.02
 C11A-C10A \\sim C13A-C10A \\sim C12A-C10A
 with sigma of 0.02
 C13A-C11A \\sim C12A-C11A \\sim C13A-C12A
 with sigma of 0.02
 C29-C26 \\sim C29A-C26 \\sim C28-C26 \\sim C28A-C26 \\sim C27-C26 \\sim
C27A-C26
 with sigma of 0.02
 C32-C30 \\sim C31A-C30 \\sim C31-C30 \\sim C32A-C30 \\sim C33-C30 \\sim
C33A-C30
 with sigma of 0.02
 P1-C46A \\sim P1-C46
 with sigma of 0.02
 P1-C40A \\sim P1-C40
 with sigma of 0.02
 P1-C34A \\sim P1-C34
 with sigma of 0.02
 P1-C35A \\sim P1-C36A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Dy1 \\sim O2A \\sim O3A \\sim C6A \\sim C5A \\sim C4A \\sim C22A \\sim C25A
\\sim C23A \\sim C24A \\sim C18A \\sim C20A \\sim C19A \\sim C21A: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
O5 \\sim O5A \\sim C1A \\sim C2A \\sim C3A \\sim C10A \\sim C11A \\sim C12A
\\sim C13A \\sim C14A \\sim C16A \\sim C15A \\sim C17A \\sim Dy1: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
O2 \\sim O4 \\sim O3 \\sim O5 \\sim C18 \\sim C22 \\sim C4 \\sim C5 \\sim C6
\\sim C3 \\sim C16 \\sim C23 \\sim C2 \\sim C17 \\sim C20 \\sim C19 \\sim C25
\\sim C14 \\sim C15 \\sim C10 \\sim C1 \\sim C12 \\sim C11 \\sim C13 \\sim C24
\\sim C21: within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002
within 2A
P1 \\sim C34 \\sim C36 \\sim C38 \\sim C35 \\sim C37 \\sim C39: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C30 \\sim C31 \\sim C32 \\sim C33 \\sim C26 \\sim C28 \\sim C29 \\sim C27:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C46 \\sim C48 \\sim C50 \\sim C51 \\sim C49 \\sim C47: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
Dy1: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C40 \\sim C42 \\sim C44 \\sim C45 \\sim C43 \\sim C41: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C26 \\sim C28 \\sim C29 \\sim C27 \\sim C29A \\sim C28A \\sim C27A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C30 \\sim C31 \\sim C32 \\sim C33 \\sim C31A \\sim C32A \\sim C33A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
P1 \\sim C46A \\sim C48A \\sim C50A \\sim C51A \\sim C49A \\sim C47A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
P1 \\sim C40A \\sim C41A \\sim C43A \\sim C45A \\sim C44A \\sim C42A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
P1 \\sim C34A \\sim C35A \\sim C37A \\sim C39A \\sim C38A \\sim C36A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
4. Rigid body (RIGU) restrains
 O2A, O3A, C6A, C5A, C4A, C18A, C20A, C19A, C21A, C22A, C24A, C25A, C23A, Dy1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 O4A, C10A, C13A, O5A, C12A, C3A, C15A, C16A, C1A, C2A, C11A, C17A, C14A, Dy1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 O2, O4, O3, O5, C18, C22, C4, C5, C6, C3, C16, C23, C2, C21, C17, C20, C19,
 C25, C14, C15, C10, C1, C12, C11, C13, C24
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C34, C36, C38, C39, C37, C35, P1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 P1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C26, C28, C29, C27
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C30, C31, C32, C33
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C43, C41, C40, C42, C44, C45
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 Dy1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C46, C48, C50, C51, C49, C47
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C29A, C26, C28A, C27A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C33A, C31A, C32A, C30
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C33, C31, C32, C30
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C29, C28, C27
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 P1, C46A, C48A, C50A, C51A, C49A, C47A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 P1, C40A, C41A, C43A, C45A, C44A, C42A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 P1, C34A, C35A, C37A, C39A, C38A, C36A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
5. Others
 Sof(C29A)=Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C28A)=Sof(H28D)=Sof(H28E)=
 Sof(H28F)=Sof(C27A)=Sof(H27D)=Sof(H27E)=Sof(H27F)=1-FVAR(1)
 Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(H29C)=
 Sof(C27)=Sof(H27A)=Sof(H27B)=Sof(H27C)=FVAR(1)
 Sof(C31A)=Sof(H31D)=Sof(H31E)=Sof(H31F)=Sof(C32A)=Sof(H32D)=Sof(H32E)=
 Sof(H32F)=Sof(C33A)=Sof(H33D)=Sof(H33E)=Sof(H33F)=1-FVAR(2)
 Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=
 Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=FVAR(2)
 Sof(C46A)=Sof(C48A)=Sof(H48A)=Sof(C50A)=Sof(H50A)=Sof(C51A)=Sof(H51A)=
 Sof(C49A)=Sof(H49A)=Sof(C47A)=Sof(H47A)=1-FVAR(3)
 Sof(C46)=Sof(C48)=Sof(H48)=Sof(C50)=Sof(H50)=Sof(C51)=Sof(H51)=Sof(C49)=
 Sof(H49)=Sof(C47)=Sof(H47)=FVAR(3)
 Sof(C40A)=Sof(C41A)=Sof(H41A)=Sof(C43A)=Sof(H43A)=Sof(C45A)=Sof(H45A)=
 Sof(C44A)=Sof(H44A)=Sof(C42A)=Sof(H42A)=1-FVAR(4)
 Sof(C42)=Sof(H42)=Sof(C40)=Sof(C41)=Sof(H41)=Sof(C43)=Sof(H43)=Sof(C45)=
 Sof(H45)=Sof(C44)=Sof(H44)=FVAR(4)
 Sof(C34A)=Sof(C35A)=Sof(H35A)=Sof(C37A)=Sof(H37A)=Sof(C39A)=Sof(H39A)=
 Sof(C38A)=Sof(H38A)=Sof(C36A)=Sof(H36A)=1-FVAR(5)
 Sof(C34)=Sof(C35)=Sof(H35)=Sof(C37)=Sof(H37)=Sof(C39)=Sof(H39)=Sof(C38)=
 Sof(H38)=Sof(C36)=Sof(H36)=FVAR(5)
 Fixed Sof: O2(0.5) O4(0.5) O3(0.5) O5(0.5) C18(0.5) C22(0.5) C4(0.5) C5(0.5)
 H5(0.5) C6(0.5) C3(0.5) C16(0.5) H16A(0.5) H16B(0.5) H16C(0.5) C23(0.5)
 H23A(0.5) H23B(0.5) H23C(0.5) C2(0.5) H2(0.5) C21(0.5) H21A(0.5) H21B(0.5)
 H21C(0.5) C17(0.5) H17A(0.5) H17B(0.5) H17C(0.5) C20(0.5) H20A(0.5) H20B(0.5)
 H20C(0.5) C19(0.5) H19A(0.5) H19B(0.5) H19C(0.5) C25(0.5) H25A(0.5) H25B(0.5)
 H25C(0.5) C14(0.5) C15(0.5) H15A(0.5) H15B(0.5) H15C(0.5) C10(0.5) C1(0.5)
 C12(0.5) H12A(0.5) H12B(0.5) H12C(0.5) C11(0.5) H11A(0.5) H11B(0.5) H11C(0.5)
 C13(0.5) H13A(0.5) H13B(0.5) H13C(0.5) C24(0.5) H24A(0.5) H24B(0.5) H24C(0.5)
 O4A(0.5) O5A(0.5) C3A(0.5) C16A(0.5) H16D(0.5) H16E(0.5) H16F(0.5) C2A(0.5)
 H2A(0.5) C17A(0.5) H17D(0.5) H17E(0.5) H17F(0.5) C14A(0.5) C15A(0.5) H15D(0.5)
 H15E(0.5) H15F(0.5) C10A(0.5) C1A(0.5) C12A(0.5) H12D(0.5) H12E(0.5) H12F(0.5)
 C11A(0.5) H11D(0.5) H11E(0.5) H11F(0.5) C13A(0.5) H13D(0.5) H13E(0.5)
 H13F(0.5) O2A(0.5) O3A(0.5) C18A(0.5) C22A(0.5) C4A(0.5) C5A(0.5) H5A(0.5)
 C6A(0.5) C23A(0.5) H23D(0.5) H23E(0.5) H23F(0.5) C21A(0.5) H21D(0.5) H21E(0.5)
 H21F(0.5) C20A(0.5) H20D(0.5) H20E(0.5) H20F(0.5) C19A(0.5) H19D(0.5)
 H19E(0.5) H19F(0.5) C25A(0.5) H25D(0.5) H25E(0.5) H25F(0.5) C24A(0.5)
 H24D(0.5) H24E(0.5) H24F(0.5)
 Fixed X: O4(0.666921) O3(0.52165)
 Fixed Y: O3(0.64281) O5A(0.75391) O3A(0.73835)
 Fixed Z: O5A(0.38566) O2A(0.313641) O3A(0.29056)
6.a Me refined with riding coordinates:
 C24A(H24D,H24E,H24F)
6.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C35(H35), C37(H37), C39(H39), C38(H38), C36(H36), C48(H48), C50(H50),
 C51(H51), C49(H49), C47(H47), C42(H42), C41(H41), C43(H43), C45(H45), C44(H44),
  C5(H5), C2(H2), C2A(H2A), C5A(H5A), C48A(H48A), C50A(H50A), C51A(H51A),
 C49A(H49A), C47A(H47A), C41A(H41A), C43A(H43A), C45A(H45A), C44A(H44A),
 C42A(H42A), C35A(H35A), C37A(H37A), C39A(H39A), C38A(H38A), C36A(H36A)
6.c Fitted hexagon refined as free rotating group:
 C34(C35,C37,C39,C38,C36), C46(C48,C50,C51,C49,C47), C42(C40,C41,C43,C45,C44),
 C46A(C48A,C50A,C51A,C49A,C47A), C40A(C41A,C43A,C45A,C44A,C42A), C34A(C35A,C37A,
 C39A,C38A,C36A)
6.d Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C29(H29A,H29B,
 H29C), C27(H27A,H27B,H27C), C33(H33A,H33B,H33C), C16(H16A,H16B,H16C), C23(H23A,
 H23B,H23C), C21(H21A,H21B,H21C), C17(H17A,H17B,H17C), C20(H20A,H20B,H20C),
 C19(H19A,H19B,H19C), C25(H25A,H25B,H25C), C15(H15A,H15B,H15C), C12(H12A,H12B,
 H12C), C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C24(H24A,H24B,H24C),
 C16A(H16D,H16E,H16F), C17A(H17D,H17E,H17F), C15A(H15D,H15E,H15F), C12A(H12D,
 H12E,H12F), C11A(H11D,H11E,H11F), C13A(H13D,H13E,H13F), C23A(H23D,H23E,H23F),
 C21A(H21D,H21E,H21F), C20A(H20D,H20E,H20F), C19A(H19D,H19E,H19F), C25A(H25D,
 H25E,H25F), C29A(H29D,H29E,H29F), C28A(H28D,H28E,H28F), C27A(H27D,H27E,H27F),
 C31A(H31D,H31E,H31F), C32A(H32D,H32E,H32F), C33A(H33D,H33E,H33F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.52345(3) 0.75683(2) 0.27613(2) 0.0481(2) Uani 1 1 d D . . . .
P1 P 0.27891(17) 0.77696(16) 0.23343(14) 0.0563(7) Uani 1 1 d D U . . .
O1 O 0.5190(5) 0.6932(4) 0.1740(3) 0.0650(19) Uani 1 1 d . . . . .
O2 O 0.469(4) 0.7539(8) 0.3843(7) 0.0624(17) Uani 0.5 1 d . U P A 1
O4 O 0.666921 0.7413(9) 0.2885(12) 0.094(2) Uani 0.5 1 d D U P A 1
O3 O 0.521650 0.642810 0.3125(7) 0.0625(17) Uani 0.5 1 d . U P A 1
O6 O 0.5457(5) 0.8334(4) 0.1876(4) 0.069(2) Uani 1 1 d . . . . .
O7 O 0.3775(5) 0.7714(4) 0.2444(4) 0.0618(18) Uani 1 1 d . . . . .
O5 O 0.579(4) 0.847(2) 0.335(3) 0.095(2) Uani 0.5 1 d D U P A 1
C9 C 0.5347(7) 0.7052(6) 0.1127(5) 0.063(3) Uani 1 1 d . . . . .
C7 C 0.5626(7) 0.8302(6) 0.1257(6) 0.067(3) Uani 1 1 d . . . . .
C8 C 0.5571(9) 0.7687(7) 0.0892(7) 0.080(4) Uani 1 1 d . . . . .
H8 H 0.570251 0.770906 0.043056 0.096 Uiso 1 1 calc R U . . .
C34 C 0.2583(7) 0.8104(5) 0.1443(3) 0.078(3) Uani 0.874(10) 1 d DG U P B 1
C35 C 0.2513(9) 0.7615(4) 0.0912(5) 0.099(4) Uani 0.874(10) 1 d G U P B 1
H35 H 0.240519 0.715281 0.101200 0.119 Uiso 0.874(10) 1 calc R U P B 1
C37 C 0.2604(9) 0.7817(6) 0.0230(4) 0.106(4) Uani 0.874(10) 1 d G U P B 1
H37 H 0.255771 0.748929 -0.012559 0.127 Uiso 0.874(10) 1 calc R U P B 1
C39 C 0.2766(8) 0.8507(6) 0.0080(3) 0.109(4) Uani 0.874(10) 1 d G U P B 1
H39 H 0.282683 0.864221 -0.037590 0.130 Uiso 0.874(10) 1 calc R U P B 1
C38 C 0.2836(8) 0.8997(5) 0.0612(5) 0.107(4) Uani 0.874(10) 1 d G U P B 1
H38 H 0.294342 0.945866 0.051138 0.128 Uiso 0.874(10) 1 calc R U P B 1
C36 C 0.2744(7) 0.8795(5) 0.1293(4) 0.091(4) Uani 0.874(10) 1 d G U P B 1
H36 H 0.279090 0.912220 0.164897 0.109 Uiso 0.874(10) 1 calc R U P B 1
C46 C 0.2273(12) 0.6907(7) 0.2407(11) 0.052(5) Uani 0.53(4) 1 d DG U P B 1
C48 C 0.1419(12) 0.6755(8) 0.2118(12) 0.075(5) Uani 0.53(4) 1 d G U P B 1
H48 H 0.113072 0.705380 0.179249 0.090 Uiso 0.53(4) 1 calc R U P B 1
C50 C 0.0996(11) 0.6157(10) 0.2315(14) 0.076(6) Uani 0.53(4) 1 d G U P B 1
H50 H 0.042512 0.605537 0.212187 0.091 Uiso 0.53(4) 1 calc R U P B 1
C51 C 0.1427(14) 0.5711(9) 0.2802(15) 0.085(6) Uani 0.53(4) 1 d G U P B 1
H51 H 0.114420 0.531054 0.293412 0.102 Uiso 0.53(4) 1 calc R U P B 1
C49 C 0.2281(13) 0.5863(9) 0.3091(13) 0.073(5) Uani 0.53(4) 1 d G U P B 1
H49 H 0.256890 0.556415 0.341700 0.088 Uiso 0.53(4) 1 calc R U P B 1
C47 C 0.2703(10) 0.6461(9) 0.2894(11) 0.083(5) Uani 0.53(4) 1 d G U P B 1
H47 H 0.327451 0.656258 0.308763 0.099 Uiso 0.53(4) 1 calc R U P B 1
C30 C 0.5337(9) 0.6396(7) 0.0676(7) 0.105(4) Uani 1 1 d D U . . .
C26 C 0.5917(9) 0.8951(7) 0.0923(7) 0.102(4) Uani 1 1 d D U . . .
C42 C 0.1608(14) 0.8781(13) 0.2776(13) 0.079(6) Uani 0.50(4) 1 d G U P B 1
H42 H 0.117185 0.854722 0.249526 0.094 Uiso 0.50(4) 1 calc R U P B 1
C40 C 0.2489(15) 0.8572(11) 0.2791(13) 0.089(7) Uani 0.50(4) 1 d DG U P B 1
C41 C 0.3141(13) 0.8921(12) 0.3211(14) 0.073(6) Uani 0.50(4) 1 d G U P B 1
H41 H 0.372989 0.878155 0.322115 0.087 Uiso 0.50(4) 1 calc R U P B 1
C43 C 0.2913(15) 0.9478(12) 0.3615(14) 0.096(7) Uani 0.50(4) 1 d G U P B 1
H43 H 0.334923 0.971159 0.389535 0.115 Uiso 0.50(4) 1 calc R U P B 1
C45 C 0.2032(16) 0.9687(12) 0.3599(14) 0.089(7) Uani 0.50(4) 1 d G U P B 1
H45 H 0.187988 1.005945 0.386952 0.107 Uiso 0.50(4) 1 calc R U P B 1
C44 C 0.1380(14) 0.9338(14) 0.3180(14) 0.100(7) Uani 0.50(4) 1 d G U P B 1
H44 H 0.079118 0.947728 0.316948 0.121 Uiso 0.50(4) 1 calc R U P B 1
C28 C 0.516(3) 0.947(3) 0.065(3) 0.117(7) Uani 0.289(17) 1 d D U P C 1
H28A H 0.542113 0.991657 0.056689 0.175 Uiso 0.289(17) 1 calc R U P C 1
H28B H 0.474267 0.951660 0.098523 0.175 Uiso 0.289(17) 1 calc R U P C 1
H28C H 0.487089 0.929982 0.021765 0.175 Uiso 0.289(17) 1 calc R U P C 1
C31 C 0.6299(15) 0.620(2) 0.062(2) 0.117(7) Uani 0.474(19) 1 d D U P D 1
H31A H 0.632700 0.584921 0.026869 0.175 Uiso 0.474(19) 1 calc R U P D 1
H31B H 0.655838 0.603206 0.105697 0.175 Uiso 0.474(19) 1 calc R U P D 1
H31C H 0.661929 0.660417 0.048607 0.175 Uiso 0.474(19) 1 calc R U P D 1
C32 C 0.505(3) 0.661(2) -0.0077(11) 0.121(7) Uani 0.474(19) 1 d D U P D 1
H32A H 0.468831 0.702128 -0.007654 0.181 Uiso 0.474(19) 1 calc R U P D 1
H32B H 0.471922 0.624454 -0.031210 0.181 Uiso 0.474(19) 1 calc R U P D 1
H32C H 0.556779 0.670991 -0.031346 0.181 Uiso 0.474(19) 1 calc R U P D 1
C29 C 0.651(4) 0.889(3) 0.030(3) 0.117(7) Uani 0.289(17) 1 d D U P C 1
H29A H 0.621489 0.859524 -0.005389 0.175 Uiso 0.289(17) 1 calc R U P C 1
H29B H 0.707039 0.869356 0.046092 0.175 Uiso 0.289(17) 1 calc R U P C 1
H29C H 0.659128 0.934097 0.010742 0.175 Uiso 0.289(17) 1 calc R U P C 1
C27 C 0.660(4) 0.932(3) 0.147(2) 0.114(7) Uani 0.289(17) 1 d D U P C 1
H27A H 0.628404 0.962275 0.175482 0.171 Uiso 0.289(17) 1 calc R U P C 1
H27B H 0.701539 0.957675 0.123279 0.171 Uiso 0.289(17) 1 calc R U P C 1
H27C H 0.690469 0.897192 0.176063 0.171 Uiso 0.289(17) 1 calc R U P C 1
C33 C 0.458(2) 0.5937(17) 0.0863(18) 0.119(7) Uani 0.474(19) 1 d D U P D 1
H33A H 0.461682 0.549403 0.064044 0.178 Uiso 0.474(19) 1 calc R U P D 1
H33B H 0.402283 0.615156 0.070888 0.178 Uiso 0.474(19) 1 calc R U P D 1
H33C H 0.461746 0.587389 0.135916 0.178 Uiso 0.474(19) 1 calc R U P D 1
C18 C 0.4358(19) 0.7359(12) 0.5018(14) 0.0632(17) Uani 0.5 1 d . U P A 1
C22 C 0.5431(16) 0.5333(12) 0.3660(10) 0.0643(17) Uani 0.5 1 d . U P A 1
C4 C 0.4718(16) 0.7051(12) 0.4330(10) 0.0627(16) Uani 0.5 1 d . U P A 1
C5 C 0.4999(14) 0.6410(11) 0.4301(10) 0.0629(16) Uani 0.5 1 d . U P A 1
H5 H 0.504442 0.615539 0.471212 0.075 Uiso 0.5 1 calc R U P A 1
C6 C 0.5241(15) 0.6073(12) 0.3689(10) 0.0632(16) Uani 0.5 1 d . U P A 1
C3 C 0.7392(19) 0.7819(17) 0.3017(16) 0.094(2) Uani 0.5 1 d . U P A 1
C16 C 0.8532(17) 0.7051(14) 0.3241(12) 0.096(2) Uani 0.5 1 d D U P A 1
H16A H 0.855829 0.727621 0.368679 0.144 Uiso 0.5 1 calc R U P A 1
H16B H 0.909793 0.684839 0.317918 0.144 Uiso 0.5 1 calc R U P A 1
H16C H 0.808755 0.669449 0.321976 0.144 Uiso 0.5 1 calc R U P A 1
C23 C 0.5908(17) 0.5032(13) 0.4351(10) 0.066(2) Uani 0.5 1 d . U P A 1
H23A H 0.647824 0.524647 0.444401 0.098 Uiso 0.5 1 calc R U P A 1
H23B H 0.598163 0.454020 0.430241 0.098 Uiso 0.5 1 calc R U P A 1
H23C H 0.555497 0.512300 0.472885 0.098 Uiso 0.5 1 calc R U P A 1
C2 C 0.7331(18) 0.8452(15) 0.3262(14) 0.094(2) Uani 0.5 1 d . U P A 1
H2 H 0.784907 0.871360 0.329910 0.113 Uiso 0.5 1 calc R U P A 1
C21 C 0.3376(16) 0.7326(12) 0.4912(12) 0.0644(19) Uani 0.5 1 d . U P A 1
H21A H 0.316965 0.759662 0.451147 0.097 Uiso 0.5 1 calc R U P A 1
H21B H 0.312959 0.750773 0.531597 0.097 Uiso 0.5 1 calc R U P A 1
H21C H 0.319180 0.685324 0.484112 0.097 Uiso 0.5 1 calc R U P A 1
C17 C 0.828(2) 0.7420(13) 0.2165(14) 0.096(2) Uani 0.5 1 d D U P A 1
H17A H 0.769834 0.752246 0.193959 0.143 Uiso 0.5 1 calc R U P A 1
H17B H 0.838917 0.693225 0.213429 0.143 Uiso 0.5 1 calc R U P A 1
H17C H 0.871598 0.767245 0.194082 0.143 Uiso 0.5 1 calc R U P A 1
C20 C 0.4695(15) 0.6947(12) 0.5658(10) 0.0638(19) Uani 0.5 1 d . U P A 1
H20A H 0.437203 0.651990 0.566815 0.096 Uiso 0.5 1 calc R U P A 1
H20B H 0.461237 0.721181 0.606871 0.096 Uiso 0.5 1 calc R U P A 1
H20C H 0.531464 0.684972 0.564283 0.096 Uiso 0.5 1 calc R U P A 1
C19 C 0.4792(16) 0.8045(12) 0.5142(11) 0.0638(19) Uani 0.5 1 d . U P A 1
H19A H 0.538936 0.802308 0.501551 0.096 Uiso 0.5 1 calc R U P A 1
H19B H 0.479859 0.816395 0.562586 0.096 Uiso 0.5 1 calc R U P A 1
H19C H 0.446762 0.839012 0.486468 0.096 Uiso 0.5 1 calc R U P A 1
C25 C 0.4532(14) 0.4895(12) 0.3743(10) 0.0659(19) Uani 0.5 1 d . U P A 1
H25A H 0.411976 0.517915 0.396474 0.099 Uiso 0.5 1 calc R U P A 1
H25B H 0.467316 0.449133 0.402305 0.099 Uiso 0.5 1 calc R U P A 1
H25C H 0.427070 0.475593 0.329199 0.099 Uiso 0.5 1 calc R U P A 1
C14 C 0.830(2) 0.7565(16) 0.2684(19) 0.095(2) Uani 0.5 1 d . U P A 1
C15 C 0.8994(16) 0.8053(13) 0.2927(13) 0.096(2) Uani 0.5 1 d D U P A 1
H15A H 0.933154 0.817558 0.254834 0.144 Uiso 0.5 1 calc R U P A 1
H15B H 0.937800 0.784414 0.329315 0.144 Uiso 0.5 1 calc R U P A 1
H15C H 0.872882 0.846241 0.310090 0.144 Uiso 0.5 1 calc R U P A 1
C10 C 0.670(2) 0.9487(18) 0.3765(16) 0.096(2) Uani 0.5 1 d . U P A 1
C1 C 0.6579(18) 0.8773(15) 0.3470(15) 0.095(2) Uani 0.5 1 d . U P A 1
C12 C 0.6773(19) 0.9352(16) 0.4636(13) 0.097(2) Uani 0.5 1 d . U P A 1
H12A H 0.631144 0.904075 0.474562 0.145 Uiso 0.5 1 calc R U P A 1
H12B H 0.670943 0.978548 0.487034 0.145 Uiso 0.5 1 calc R U P A 1
H12C H 0.734032 0.915300 0.478532 0.145 Uiso 0.5 1 calc R U P A 1
C11 C 0.5694(17) 0.9843(16) 0.3698(16) 0.096(2) Uani 0.5 1 d . U P A 1
H11A H 0.533480 0.961900 0.401600 0.144 Uiso 0.5 1 calc R U P A 1
H11B H 0.542342 0.978717 0.323022 0.144 Uiso 0.5 1 calc R U P A 1
H11C H 0.574284 1.032739 0.380745 0.144 Uiso 0.5 1 calc R U P A 1
C13 C 0.7223(18) 0.9934(15) 0.3499(15) 0.097(2) Uani 0.5 1 d . U P A 1
H13A H 0.781194 0.974732 0.351627 0.145 Uiso 0.5 1 calc R U P A 1
H13B H 0.723216 1.035761 0.376106 0.145 Uiso 0.5 1 calc R U P A 1
H13C H 0.700816 1.002634 0.302311 0.145 Uiso 0.5 1 calc R U P A 1
C24 C 0.5831(16) 0.5092(12) 0.3063(10) 0.0662(19) Uani 0.5 1 d . U P A 1
H24A H 0.540693 0.511638 0.266086 0.099 Uiso 0.5 1 calc R U P A 1
H24B H 0.601945 0.462008 0.313637 0.099 Uiso 0.5 1 calc R U P A 1
H24C H 0.633410 0.537595 0.299034 0.099 Uiso 0.5 1 calc R U P A 1
O4A O 0.574(3) 0.8577(16) 0.333(2) 0.069(7) Uani 0.5 1 d . . P A 2
O5A O 0.465(4) 0.753910 0.385660 0.080(4) Uani 0.5 1 d . U P A 2
C3A C 0.5780(19) 0.8837(16) 0.3916(15) 0.096(3) Uani 0.5 1 d . U P A 2
C16A C 0.731(2) 0.9487(18) 0.4299(19) 0.124(7) Uani 0.5 1 d D U P A 2
H16D H 0.738756 0.906880 0.456768 0.187 Uiso 0.5 1 calc R U P A 2
H16E H 0.740209 0.988077 0.460076 0.187 Uiso 0.5 1 calc R U P A 2
H16F H 0.772759 0.949691 0.395498 0.187 Uiso 0.5 1 calc R U P A 2
C2A C 0.5430(19) 0.8531(16) 0.4513(15) 0.101(4) Uani 0.5 1 d . U P A 2
H2A H 0.559351 0.868131 0.496547 0.122 Uiso 0.5 1 calc R U P A 2
C17A C 0.625(2) 1.0004(17) 0.3325(16) 0.122(7) Uani 0.5 1 d D U P A 2
H17D H 0.650125 0.980490 0.293294 0.182 Uiso 0.5 1 calc R U P A 2
H17E H 0.654002 1.043486 0.344850 0.182 Uiso 0.5 1 calc R U P A 2
H17F H 0.562732 1.008624 0.320734 0.182 Uiso 0.5 1 calc R U P A 2
C14A C 0.6371(17) 0.9508(18) 0.3938(13) 0.105(4) Uani 0.5 1 d D U P A 2
C15A C 0.592(2) 0.9919(18) 0.4468(17) 0.124(7) Uani 0.5 1 d D U P A 2
H15D H 0.552541 1.024947 0.423352 0.185 Uiso 0.5 1 calc R U P A 2
H15E H 0.636207 1.015802 0.476940 0.185 Uiso 0.5 1 calc R U P A 2
H15F H 0.559408 0.961070 0.473830 0.185 Uiso 0.5 1 calc R U P A 2
C10A C 0.436(2) 0.7654(14) 0.5045(17) 0.110(5) Uani 0.5 1 d D U P A 2
C1A C 0.484(2) 0.8006(18) 0.4368(14) 0.099(4) Uani 0.5 1 d . U P A 2
C12A C 0.467(2) 0.8054(18) 0.5562(16) 0.138(7) Uani 0.5 1 d D U P A 2
H12D H 0.482871 0.777602 0.596689 0.207 Uiso 0.5 1 calc R U P A 2
H12E H 0.421654 0.837932 0.566157 0.207 Uiso 0.5 1 calc R U P A 2
H12F H 0.517935 0.830072 0.543580 0.207 Uiso 0.5 1 calc R U P A 2
C11A C 0.462(2) 0.7018(17) 0.5150(18) 0.123(7) Uani 0.5 1 d D U P A 2
H11D H 0.410499 0.672970 0.518411 0.185 Uiso 0.5 1 calc R U P A 2
H11E H 0.499833 0.698932 0.557528 0.185 Uiso 0.5 1 calc R U P A 2
H11F H 0.492993 0.686418 0.476875 0.185 Uiso 0.5 1 calc R U P A 2
C13A C 0.351(2) 0.7721(16) 0.4920(16) 0.117(7) Uani 0.5 1 d D U P A 2
H13D H 0.335908 0.820400 0.488583 0.175 Uiso 0.5 1 calc R U P A 2
H13E H 0.322126 0.751485 0.529281 0.175 Uiso 0.5 1 calc R U P A 2
H13F H 0.331402 0.749306 0.449025 0.175 Uiso 0.5 1 calc R U P A 2
O2A O 0.5332(11) 0.6478(10) 0.313641 0.095(2) Uani 0.5 1 d . U P A 2
O3A O 0.6734(14) 0.738350 0.290560 0.096(2) Uani 0.5 1 d . U P A 2
C18A C 0.5732(13) 0.5317(16) 0.3430(12) 0.096(2) Uani 0.5 1 d D U P A 2
C22A C 0.8104(17) 0.7047(11) 0.2742(11) 0.097(2) Uani 0.5 1 d D U P A 2
C4A C 0.5954(18) 0.6101(15) 0.3219(15) 0.096(2) Uani 0.5 1 d . U P A 2
C5A C 0.6900(17) 0.6209(15) 0.3071(14) 0.096(2) Uani 0.5 1 d D U P A 2
H5A H 0.732097 0.585775 0.307420 0.115 Uiso 0.5 1 calc R U P A 2
C6A C 0.7061(19) 0.6873(16) 0.2936(16) 0.096(2) Uani 0.5 1 d . U P A 2
C23A C 0.8453(18) 0.6497(13) 0.3026(13) 0.098(2) Uani 0.5 1 d D U P A 2
H23D H 0.821297 0.641622 0.346182 0.147 Uiso 0.5 1 calc DR U P A 2
H23E H 0.908387 0.655556 0.310438 0.147 Uiso 0.5 1 calc R U P A 2
H23F H 0.832217 0.610818 0.272246 0.147 Uiso 0.5 1 calc R U P A 2
C21A C 0.6191(15) 0.4836(15) 0.2941(12) 0.097(2) Uani 0.5 1 d D U P A 2
H21D H 0.633774 0.509284 0.254114 0.145 Uiso 0.5 1 calc R U P A 2
H21E H 0.579886 0.446191 0.279301 0.145 Uiso 0.5 1 calc R U P A 2
H21F H 0.672321 0.465130 0.318200 0.145 Uiso 0.5 1 calc R U P A 2
C20A C 0.6134(16) 0.5182(16) 0.4168(12) 0.096(2) Uani 0.5 1 d D U P A 2
H20D H 0.669463 0.541634 0.424338 0.144 Uiso 0.5 1 calc R U P A 2
H20E H 0.622120 0.469328 0.423542 0.144 Uiso 0.5 1 calc R U P A 2
H20F H 0.574142 0.535273 0.449158 0.144 Uiso 0.5 1 calc R U P A 2
C19A C 0.4746(14) 0.5198(15) 0.3340(13) 0.097(2) Uani 0.5 1 d D U P A 2
H19D H 0.447031 0.545251 0.368933 0.145 Uiso 0.5 1 calc R U P A 2
H19E H 0.462518 0.471248 0.338739 0.145 Uiso 0.5 1 calc R U P A 2
H19F H 0.451302 0.535289 0.288636 0.145 Uiso 0.5 1 calc R U P A 2
C25A C 0.7987(19) 0.7056(14) 0.2074(12) 0.097(2) Uani 0.5 1 d D U P A 2
H25D H 0.745531 0.680718 0.192093 0.146 Uiso 0.5 1 calc R U P A 2
H25E H 0.848448 0.684142 0.188566 0.146 Uiso 0.5 1 calc R U P A 2
H25F H 0.793408 0.752740 0.191467 0.146 Uiso 0.5 1 calc R U P A 2
C24A C 0.834(2) 0.7621(13) 0.3044(14) 0.097(2) Uani 0.5 1 d D U P A 2
H24D H 0.804481 0.799906 0.279471 0.145 Uiso 0.5 1 calc R U P A 2
H24E H 0.817662 0.761480 0.351333 0.145 Uiso 0.5 1 calc R U P A 2
H24F H 0.896910 0.767649 0.304916 0.145 Uiso 0.5 1 calc R U P A 2
C29A C 0.5779(18) 0.8946(12) 0.0108(9) 0.117(6) Uani 0.711(17) 1 d D U P C 2
H29D H 0.517427 0.882888 -0.003943 0.176 Uiso 0.711(17) 1 calc R U P C 2
H29E H 0.616708 0.861014 -0.006909 0.176 Uiso 0.711(17) 1 calc R U P C 2
H29F H 0.591024 0.939732 -0.006573 0.176 Uiso 0.711(17) 1 calc R U P C 2
C28A C 0.5389(16) 0.9572(10) 0.1221(14) 0.115(6) Uani 0.711(17) 1 d D U P C 2
H28D H 0.538926 0.996034 0.090958 0.172 Uiso 0.711(17) 1 calc R U P C 2
H28E H 0.566763 0.970335 0.167004 0.172 Uiso 0.711(17) 1 calc R U P C 2
H28F H 0.478903 0.943126 0.126594 0.172 Uiso 0.711(17) 1 calc R U P C 2
C27A C 0.6928(12) 0.9011(14) 0.1185(14) 0.121(6) Uani 0.711(17) 1 d D U P C 2
H27D H 0.716567 0.942881 0.100582 0.182 Uiso 0.711(17) 1 calc R U P C 2
H27E H 0.724045 0.861835 0.102512 0.182 Uiso 0.711(17) 1 calc R U P C 2
H27F H 0.699514 0.902350 0.168512 0.182 Uiso 0.711(17) 1 calc R U P C 2
C31A C 0.6161(18) 0.638(2) 0.0279(17) 0.120(7) Uani 0.526(19) 1 d D U P D 2
H31D H 0.628772 0.684014 0.012477 0.181 Uiso 0.526(19) 1 calc R U P D 2
H31E H 0.605939 0.607992 -0.011727 0.181 Uiso 0.526(19) 1 calc R U P D 2
H31F H 0.665619 0.621168 0.057941 0.181 Uiso 0.526(19) 1 calc R U P D 2
C32A C 0.459(2) 0.642(2) 0.0096(15) 0.128(7) Uani 0.526(19) 1 d D U P D 2
H32D H 0.457763 0.686948 -0.012316 0.191 Uiso 0.526(19) 1 calc R U P D 2
H32E H 0.403282 0.634272 0.028581 0.191 Uiso 0.526(19) 1 calc R U P D 2
H32F H 0.467829 0.607067 -0.024286 0.191 Uiso 0.526(19) 1 calc R U P D 2
C33A C 0.541(3) 0.5735(11) 0.1124(13) 0.112(6) Uani 0.526(19) 1 d D U P D 2
H33D H 0.530026 0.533612 0.083062 0.168 Uiso 0.526(19) 1 calc R U P D 2
H33E H 0.497586 0.575105 0.145801 0.168 Uiso 0.526(19) 1 calc R U P D 2
H33F H 0.599139 0.570480 0.136435 0.168 Uiso 0.526(19) 1 calc R U P D 2
C46A C 0.2166(14) 0.7026(10) 0.2678(15) 0.083(4) Uani 0.47(4) 1 d DG U P B 2
C48A C 0.1297(13) 0.6905(12) 0.2406(15) 0.075(5) Uani 0.47(4) 1 d G U P B 2
H48A H 0.101802 0.721020 0.208267 0.091 Uiso 0.47(4) 1 calc R U P B 2
C50A C 0.0844(12) 0.6326(13) 0.2617(16) 0.096(6) Uani 0.47(4) 1 d G U P B 2
H50A H 0.026290 0.624482 0.243469 0.115 Uiso 0.47(4) 1 calc R U P B 2
C51A C 0.1261(15) 0.5869(11) 0.3100(16) 0.081(6) Uani 0.47(4) 1 d G U P B 2
H51A H 0.095814 0.548233 0.324120 0.097 Uiso 0.47(4) 1 calc R U P B 2
C49A C 0.2130(15) 0.5991(11) 0.3372(14) 0.090(6) Uani 0.47(4) 1 d G U P B 2
H49A H 0.240852 0.568522 0.369569 0.108 Uiso 0.47(4) 1 calc R U P B 2
C47A C 0.2582(12) 0.6569(12) 0.3161(15) 0.072(5) Uani 0.47(4) 1 d G U P B 2
H47A H 0.316365 0.665059 0.334367 0.086 Uiso 0.47(4) 1 calc R U P B 2
C40A C 0.2321(14) 0.8379(9) 0.2962(9) 0.053(4) Uani 0.50(4) 1 d DG U P B 2
C41A C 0.2929(13) 0.8744(10) 0.3408(11) 0.085(5) Uani 0.50(4) 1 d G U P B 2
H41A H 0.352728 0.862737 0.343706 0.102 Uiso 0.50(4) 1 calc R U P B 2
C43A C 0.2643(16) 0.9283(11) 0.3809(10) 0.079(5) Uani 0.50(4) 1 d G U P B 2
H43A H 0.304999 0.952727 0.410733 0.095 Uiso 0.50(4) 1 calc R U P B 2
C45A C 0.1749(17) 0.9458(11) 0.3765(10) 0.092(6) Uani 0.50(4) 1 d G U P B 2
H45A H 0.155761 0.981854 0.403400 0.111 Uiso 0.50(4) 1 calc R U P B 2
C44A C 0.1141(14) 0.9093(12) 0.3320(10) 0.075(5) Uani 0.50(4) 1 d G U P B 2
H44A H 0.054253 0.920993 0.329039 0.090 Uiso 0.50(4) 1 calc R U P B 2
C42A C 0.1427(13) 0.8554(11) 0.2918(9) 0.075(5) Uani 0.50(4) 1 d G U P B 2
H42A H 0.101981 0.831002 0.262011 0.090 Uiso 0.50(4) 1 calc R U P B 2
C34A C 0.237(3) 0.7826(19) 0.1423(10) 0.054(5) Uani 0.126(10) 1 d DG U P B 2
C35A C 0.270(3) 0.736(2) 0.0959(13) 0.052(7) Uani 0.126(10) 1 d DG U P B 2
H35A H 0.300878 0.697131 0.112514 0.062 Uiso 0.126(10) 1 calc R U P B 2
C37A C 0.257(3) 0.749(3) 0.0247(12) 0.057(8) Uani 0.126(10) 1 d G U P B 2
H37A H 0.278693 0.717604 -0.006402 0.068 Uiso 0.126(10) 1 calc R U P B 2
C39A C 0.210(3) 0.807(3) -0.0001(11) 0.062(8) Uani 0.126(10) 1 d G U P B 2
H39A H 0.201556 0.815357 -0.047818 0.075 Uiso 0.126(10) 1 calc R U P B 2
C38A C 0.178(3) 0.853(2) 0.0463(15) 0.065(8) Uani 0.126(10) 1 d G U P B 2
H38A H 0.146604 0.892637 0.029681 0.078 Uiso 0.126(10) 1 calc R U P B 2
C36A C 0.191(3) 0.841(2) 0.1175(13) 0.062(7) Uani 0.126(10) 1 d DG U P B 2
H36A H 0.168788 0.872165 0.148597 0.075 Uiso 0.126(10) 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.316(6) . ?
Dy1 O2 2.32(3) . ?
Dy1 O4 2.184(3) . ?
Dy1 O3 2.309(4) . ?
Dy1 O6 2.307(7) . ?
Dy1 O7 2.255(7) . ?
Dy1 O5 2.21(2) . ?
Dy1 O4A 2.33(2) . ?
Dy1 O5A 2.36(3) . ?
Dy1 O2A 2.224(18) . ?
Dy1 O3A 2.29(2) . ?
P1 O7 1.491(7) . ?
P1 C34 1.834(7) . ?
P1 C46 1.849(10) . ?
P1 C40 1.859(11) . ?
P1 C46A 1.872(12) . ?
P1 C40A 1.875(11) . ?
P1 C34A 1.814(19) . ?
O1 C9 1.249(11) . ?
O2 C4 1.33(3) . ?
O4 C3 1.35(3) . ?
O3 C6 1.28(2) . ?
O6 C7 1.245(12) . ?
O5 C1 1.32(5) . ?
C9 C8 1.361(17) . ?
C9 C30 1.535(16) . ?
C7 C8 1.377(16) . ?
C7 C26 1.494(16) . ?
C8 H8 0.9300 . ?
C34 C35 1.3900 . ?
C34 C36 1.3900 . ?
C35 H35 0.9300 . ?
C35 C37 1.3900 . ?
C37 H37 0.9300 . ?
C37 C39 1.3900 . ?
C39 H39 0.9300 . ?
C39 C38 1.3900 . ?
C38 H38 0.9300 . ?
C38 C36 1.3900 . ?
C36 H36 0.9300 . ?
C46 C48 1.3900 . ?
C46 C47 1.3900 . ?
C48 H48 0.9300 . ?
C48 C50 1.3900 . ?
C50 H50 0.9300 . ?
C50 C51 1.3900 . ?
C51 H51 0.9300 . ?
C51 C49 1.3900 . ?
C49 H49 0.9300 . ?
C49 C47 1.3900 . ?
C47 H47 0.9300 . ?
C30 C31 1.519(17) . ?
C30 C32 1.533(17) . ?
C30 C33 1.521(17) . ?
C30 C31A 1.525(16) . ?
C30 C32A 1.517(17) . ?
C30 C33A 1.540(16) . ?
C26 C28 1.574(18) . ?
C26 C29 1.568(18) . ?
C26 C27 1.570(18) . ?
C26 C29A 1.565(15) . ?
C26 C28A 1.579(15) . ?
C26 C27A 1.570(15) . ?
C42 H42 0.9300 . ?
C42 C40 1.3900 . ?
C42 C44 1.3900 . ?
C40 C41 1.3900 . ?
C41 H41 0.9300 . ?
C41 C43 1.3900 . ?
C43 H43 0.9300 . ?
C43 C45 1.3900 . ?
C45 H45 0.9300 . ?
C45 C44 1.3900 . ?
C44 H44 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C18 C4 1.60(3) . ?
C18 C21 1.48(4) . ?
C18 C20 1.51(3) . ?
C18 C19 1.49(3) . ?
C22 C6 1.46(3) . ?
C22 C23 1.57(3) . ?
C22 C25 1.62(3) . ?
C22 C24 1.43(3) . ?
C4 C5 1.31(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.43(2) . ?
C3 C2 1.31(4) . ?
C3 C14 1.65(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 C14 1.48(4) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C2 H2 0.9300 . ?
C2 C1 1.39(3) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17 C14 1.04(4) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C14 C15 1.45(4) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C10 C1 1.49(4) . ?
C10 C12 1.69(4) . ?
C10 C11 1.66(4) . ?
C10 C13 1.31(4) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
O4A C3A 1.23(4) . ?
O5A C1A 1.35(3) . ?
C3A C2A 1.44(4) . ?
C3A C14A 1.57(4) . ?
C16A H16D 0.9600 . ?
C16A H16E 0.9600 . ?
C16A H16F 0.9600 . ?
C16A C14A 1.52(2) . ?
C2A H2A 0.9300 . ?
C2A C1A 1.36(4) . ?
C17A H17D 0.9600 . ?
C17A H17E 0.9600 . ?
C17A H17F 0.9600 . ?
C17A C14A 1.52(2) . ?
C14A C15A 1.50(2) . ?
C15A H15D 0.9600 . ?
C15A H15E 0.9600 . ?
C15A H15F 0.9600 . ?
C10A C1A 1.69(5) . ?
C10A C12A 1.31(2) . ?
C10A C11A 1.29(2) . ?
C10A C13A 1.30(2) . ?
C12A H12D 0.9600 . ?
C12A H12E 0.9600 . ?
C12A H12F 0.9600 . ?
C11A H11D 0.9600 . ?
C11A H11E 0.9600 . ?
C11A H11F 0.9600 . ?
C13A H13D 0.9600 . ?
C13A H13E 0.9600 . ?
C13A H13F 0.9600 . ?
O2A C4A 1.19(3) . ?
O3A C6A 1.10(3) . ?
C18A C4A 1.61(4) . ?
C18A C21A 1.54(2) . ?
C18A C20A 1.52(2) . ?
C18A C19A 1.51(2) . ?
C22A C6A 1.69(4) . ?
C22A C23A 1.284(19) . ?
C22A C25A 1.28(2) . ?
C22A C24A 1.28(2) . ?
C4A C5A 1.50(3) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.33(4) . ?
C23A H23D 0.9600 . ?
C23A H23E 0.9600 . ?
C23A H23F 0.9600 . ?
C21A H21D 0.9600 . ?
C21A H21E 0.9600 . ?
C21A H21F 0.9600 . ?
C20A H20D 0.9600 . ?
C20A H20E 0.9600 . ?
C20A H20F 0.9600 . ?
C19A H19D 0.9600 . ?
C19A H19E 0.9600 . ?
C19A H19F 0.9600 . ?
C25A H25D 0.9600 . ?
C25A H25E 0.9600 . ?
C25A H25F 0.9600 . ?
C24A H24D 0.9600 . ?
C24A H24E 0.9600 . ?
C24A H24F 0.9600 . ?
C29A H29D 0.9600 . ?
C29A H29E 0.9600 . ?
C29A H29F 0.9600 . ?
C28A H28D 0.9600 . ?
C28A H28E 0.9600 . ?
C28A H28F 0.9600 . ?
C27A H27D 0.9600 . ?
C27A H27E 0.9600 . ?
C27A H27F 0.9600 . ?
C31A H31D 0.9600 . ?
C31A H31E 0.9600 . ?
C31A H31F 0.9600 . ?
C32A H32D 0.9600 . ?
C32A H32E 0.9600 . ?
C32A H32F 0.9600 . ?
C33A H33D 0.9600 . ?
C33A H33E 0.9600 . ?
C33A H33F 0.9600 . ?
C46A C48A 1.3900 . ?
C46A C47A 1.3900 . ?
C48A H48A 0.9300 . ?
C48A C50A 1.3900 . ?
C50A H50A 0.9300 . ?
C50A C51A 1.3900 . ?
C51A H51A 0.9300 . ?
C51A C49A 1.3900 . ?
C49A H49A 0.9300 . ?
C49A C47A 1.3900 . ?
C47A H47A 0.9300 . ?
C40A C41A 1.3900 . ?
C40A C42A 1.3900 . ?
C41A H41A 0.9300 . ?
C41A C43A 1.3900 . ?
C43A H43A 0.9300 . ?
C43A C45A 1.3900 . ?
C45A H45A 0.9300 . ?
C45A C44A 1.3900 . ?
C44A H44A 0.9300 . ?
C44A C42A 1.3900 . ?
C42A H42A 0.9300 . ?
C34A C35A 1.3900 . ?
C34A C36A 1.3900 . ?
C35A H35A 0.9300 . ?
C35A C37A 1.3900 . ?
C37A H37A 0.9300 . ?
C37A C39A 1.3900 . ?
C39A H39A 0.9300 . ?
C39A C38A 1.3900 . ?
C38A H38A 0.9300 . ?
C38A C36A 1.3900 . ?
C36A H36A 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O4A 145.7(11) . . ?
O1 Dy1 O5A 139.8(8) . . ?
O2 Dy1 O1 140.2(9) . . ?
O4 Dy1 O1 88.2(6) . . ?
O4 Dy1 O2 109.5(14) . . ?
O4 Dy1 O3 82.9(5) . . ?
O4 Dy1 O6 87.4(6) . . ?
O4 Dy1 O7 170.5(6) . . ?
O4 Dy1 O5 74.0(17) . . ?
O3 Dy1 O1 75.7(4) . . ?
O3 Dy1 O2 71.8(4) . . ?
O6 Dy1 O1 72.8(3) . . ?
O6 Dy1 O2 140.6(4) . . ?
O6 Dy1 O3 147.3(3) . . ?
O6 Dy1 O4A 75.5(11) . . ?
O6 Dy1 O5A 140.3(4) . . ?
O7 Dy1 O1 83.4(3) . . ?
O7 Dy1 O2 79.9(13) . . ?
O7 Dy1 O3 99.3(2) . . ?
O7 Dy1 O6 85.8(3) . . ?
O7 Dy1 O4A 106.9(12) . . ?
O7 Dy1 O5A 78.9(14) . . ?
O7 Dy1 O3A 171.13(19) . . ?
O5 Dy1 O1 146.9(15) . . ?
O5 Dy1 O2 72.8(17) . . ?
O5 Dy1 O3 127.5(17) . . ?
O5 Dy1 O6 78.6(16) . . ?
O5 Dy1 O7 111.1(17) . . ?
O4A Dy1 O5A 74.4(12) . . ?
O2A Dy1 O1 76.8(2) . . ?
O2A Dy1 O6 146.8(3) . . ?
O2A Dy1 O7 103.9(5) . . ?
O2A Dy1 O4A 129.0(12) . . ?
O2A Dy1 O5A 72.9(4) . . ?
O2A Dy1 O3A 77.2(5) . . ?
O3A Dy1 O1 88.29(18) . . ?
O3A Dy1 O6 88.7(2) . . ?
O3A Dy1 O4A 78.3(12) . . ?
O3A Dy1 O5A 109.6(14) . . ?
O7 P1 C34 103.7(5) . . ?
O7 P1 C46 110.5(7) . . ?
O7 P1 C40 106.2(8) . . ?
O7 P1 C46A 115.2(8) . . ?
O7 P1 C40A 112.8(8) . . ?
O7 P1 C34A 113.3(14) . . ?
C34 P1 C46 110.6(7) . . ?
C34 P1 C40 97.1(10) . . ?
C46 P1 C40 126.1(11) . . ?
C46A P1 C40A 91.0(12) . . ?
C34A P1 C46A 104.3(19) . . ?
C34A P1 C40A 118.0(10) . . ?
C9 O1 Dy1 135.5(7) . . ?
C4 O2 Dy1 131.6(19) . . ?
C3 O4 Dy1 136.1(18) . . ?
C6 O3 Dy1 140.0(11) . . ?
C7 O6 Dy1 137.3(8) . . ?
P1 O7 Dy1 171.7(5) . . ?
C1 O5 Dy1 137(4) . . ?
O1 C9 C8 124.0(11) . . ?
O1 C9 C30 113.0(10) . . ?
C8 C9 C30 122.8(10) . . ?
O6 C7 C8 121.7(11) . . ?
O6 C7 C26 117.8(11) . . ?
C8 C7 C26 120.5(11) . . ?
C9 C8 C7 127.5(11) . . ?
C9 C8 H8 116.3 . . ?
C7 C8 H8 116.3 . . ?
C35 C34 P1 116.5(6) . . ?
C35 C34 C36 120.0 . . ?
C36 C34 P1 121.0(6) . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C37 120.0 . . ?
C37 C35 H35 120.0 . . ?
C35 C37 H37 120.0 . . ?
C39 C37 C35 120.0 . . ?
C39 C37 H37 120.0 . . ?
C37 C39 H39 120.0 . . ?
C37 C39 C38 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C38 H38 120.0 . . ?
C36 C38 C39 120.0 . . ?
C36 C38 H38 120.0 . . ?
C34 C36 H36 120.0 . . ?
C38 C36 C34 120.0 . . ?
C38 C36 H36 120.0 . . ?
C48 C46 P1 122.9(9) . . ?
C48 C46 C47 120.0 . . ?
C47 C46 P1 115.7(9) . . ?
C46 C48 H48 120.0 . . ?
C46 C48 C50 120.0 . . ?
C50 C48 H48 120.0 . . ?
C48 C50 H50 120.0 . . ?
C48 C50 C51 120.0 . . ?
C51 C50 H50 120.0 . . ?
C50 C51 H51 120.0 . . ?
C49 C51 C50 120.0 . . ?
C49 C51 H51 120.0 . . ?
C51 C49 H49 120.0 . . ?
C47 C49 C51 120.0 . . ?
C47 C49 H49 120.0 . . ?
C46 C47 H47 120.0 . . ?
C49 C47 C46 120.0 . . ?
C49 C47 H47 120.0 . . ?
C9 C30 C33A 111.6(13) . . ?
C31 C30 C9 106.7(18) . . ?
C31 C30 C32 101(2) . . ?
C31 C30 C33 129(2) . . ?
C32 C30 C9 107.4(17) . . ?
C33 C30 C9 108.3(13) . . ?
C33 C30 C32 103(2) . . ?
C31A C30 C9 109.6(17) . . ?
C31A C30 C33A 104(2) . . ?
C32A C30 C9 111.0(17) . . ?
C32A C30 C31A 103(2) . . ?
C32A C30 C33A 117(2) . . ?
C7 C26 C28 117(2) . . ?
C7 C26 C29 119(2) . . ?
C7 C26 C27 107(2) . . ?
C7 C26 C29A 114.3(13) . . ?
C7 C26 C28A 107.4(12) . . ?
C7 C26 C27A 103.9(12) . . ?
C29 C26 C28 104(3) . . ?
C29 C26 C27 100(3) . . ?
C27 C26 C28 110(3) . . ?
C29A C26 C28A 110.2(15) . . ?
C29A C26 C27A 111.0(15) . . ?
C27A C26 C28A 109.8(16) . . ?
C40 C42 H42 120.0 . . ?
C40 C42 C44 120.0 . . ?
C44 C42 H42 120.0 . . ?
C42 C40 P1 120.5(11) . . ?
C42 C40 C41 120.0 . . ?
C41 C40 P1 119.1(11) . . ?
C40 C41 H41 120.0 . . ?
C43 C41 C40 120.0 . . ?
C43 C41 H41 120.0 . . ?
C41 C43 H43 120.0 . . ?
C41 C43 C45 120.0 . . ?
C45 C43 H43 120.0 . . ?
C43 C45 H45 120.0 . . ?
C44 C45 C43 120.0 . . ?
C44 C45 H45 120.0 . . ?
C42 C44 H44 120.0 . . ?
C45 C44 C42 120.0 . . ?
C45 C44 H44 120.0 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C21 C18 C4 107(2) . . ?
C21 C18 C20 110(2) . . ?
C21 C18 C19 119(2) . . ?
C20 C18 C4 111.6(18) . . ?
C19 C18 C4 106(2) . . ?
C19 C18 C20 103(2) . . ?
C6 C22 C23 114.1(19) . . ?
C6 C22 C25 109.6(18) . . ?
C23 C22 C25 92.6(17) . . ?
C24 C22 C6 117(2) . . ?
C24 C22 C23 111.6(19) . . ?
C24 C22 C25 109.4(19) . . ?
O2 C4 C18 110(2) . . ?
C5 C4 O2 129(2) . . ?
C5 C4 C18 122(2) . . ?
C4 C5 H5 117.4 . . ?
C4 C5 C6 125(2) . . ?
C6 C5 H5 117.4 . . ?
O3 C6 C22 118.7(16) . . ?
O3 C6 C5 117.9(18) . . ?
C5 C6 C22 123.1(19) . . ?
O4 C3 C14 116(2) . . ?
C2 C3 O4 122(3) . . ?
C2 C3 C14 120(3) . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C3 C2 H2 116.4 . . ?
C3 C2 C1 127(3) . . ?
C1 C2 H2 116.4 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C16 C14 C3 94(3) . . ?
C17 C14 C3 120(4) . . ?
C17 C14 C16 120(3) . . ?
C17 C14 C15 117(3) . . ?
C15 C14 C3 107(2) . . ?
C15 C14 C16 95(2) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C1 C10 C12 103(3) . . ?
C1 C10 C11 106(2) . . ?
C11 C10 C12 97(2) . . ?
C13 C10 C1 121(3) . . ?
C13 C10 C12 120(3) . . ?
C13 C10 C11 106(3) . . ?
O5 C1 C2 120(3) . . ?
O5 C1 C10 123(3) . . ?
C2 C1 C10 117(3) . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C3A O4A Dy1 139(3) . . ?
C1A O5A Dy1 125(3) . . ?
O4A C3A C2A 125(3) . . ?
O4A C3A C14A 110(3) . . ?
C2A C3A C14A 125(2) . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C14A C16A H16D 109.5 . . ?
C14A C16A H16E 109.5 . . ?
C14A C16A H16F 109.5 . . ?
C3A C2A H2A 122.5 . . ?
C1A C2A C3A 115(3) . . ?
C1A C2A H2A 122.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
C14A C17A H17D 109.5 . . ?
C14A C17A H17E 109.5 . . ?
C14A C17A H17F 109.5 . . ?
C16A C14A C3A 120(3) . . ?
C17A C14A C3A 118(3) . . ?
C17A C14A C16A 114(3) . . ?
C15A C14A C3A 99(2) . . ?
C15A C14A C16A 100(3) . . ?
C15A C14A C17A 100(3) . . ?
C14A C15A H15D 109.5 . . ?
C14A C15A H15E 109.5 . . ?
C14A C15A H15F 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C12A C10A C1A 102(3) . . ?
C11A C10A C1A 111(3) . . ?
C11A C10A C12A 111(2) . . ?
C11A C10A C13A 113(2) . . ?
C13A C10A C1A 108(3) . . ?
C13A C10A C12A 111(2) . . ?
O5A C1A C2A 138(3) . . ?
O5A C1A C10A 103(3) . . ?
C2A C1A C10A 117(2) . . ?
C10A C12A H12D 109.5 . . ?
C10A C12A H12E 109.5 . . ?
C10A C12A H12F 109.5 . . ?
H12D C12A H12E 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
C10A C11A H11D 109.5 . . ?
C10A C11A H11E 109.5 . . ?
C10A C11A H11F 109.5 . . ?
H11D C11A H11E 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
C10A C13A H13D 109.5 . . ?
C10A C13A H13E 109.5 . . ?
C10A C13A H13F 109.5 . . ?
H13D C13A H13E 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
C4A O2A Dy1 130.5(19) . . ?
C6A O3A Dy1 125.5(19) . . ?
C21A C18A C4A 107(2) . . ?
C20A C18A C4A 109(2) . . ?
C20A C18A C21A 108.0(15) . . ?
C19A C18A C4A 110(2) . . ?
C19A C18A C21A 109.8(16) . . ?
C19A C18A C20A 112.9(16) . . ?
C23A C22A C6A 96(2) . . ?
C23A C22A C25A 116.9(15) . . ?
C23A C22A C24A 115.7(15) . . ?
C25A C22A C6A 100(2) . . ?
C25A C22A C24A 116.7(16) . . ?
C24A C22A C6A 107(2) . . ?
O2A C4A C18A 115(2) . . ?
O2A C4A C5A 130(3) . . ?
C5A C4A C18A 114(2) . . ?
C4A C5A H5A 124.3 . . ?
C6A C5A C4A 111(2) . . ?
C6A C5A H5A 124.3 . . ?
O3A C6A C22A 104(3) . . ?
O3A C6A C5A 141(3) . . ?
C5A C6A C22A 115(2) . . ?
C22A C23A H23D 109.5 . . ?
C22A C23A H23E 109.5 . . ?
C22A C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
C18A C21A H21D 109.5 . . ?
C18A C21A H21E 109.5 . . ?
C18A C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
C18A C20A H20D 109.5 . . ?
C18A C20A H20E 109.5 . . ?
C18A C20A H20F 109.5 . . ?
H20D C20A H20E 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
C18A C19A H19D 109.5 . . ?
C18A C19A H19E 109.5 . . ?
C18A C19A H19F 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
C22A C25A H25D 109.5 . . ?
C22A C25A H25E 109.5 . . ?
C22A C25A H25F 109.5 . . ?
H25D C25A H25E 109.5 . . ?
H25D C25A H25F 109.5 . . ?
H25E C25A H25F 109.5 . . ?
C22A C24A H24D 109.5 . . ?
C22A C24A H24E 109.5 . . ?
C22A C24A H24F 109.5 . . ?
H24D C24A H24E 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 109.5 . . ?
C26 C29A H29D 109.5 . . ?
C26 C29A H29E 109.5 . . ?
C26 C29A H29F 109.5 . . ?
H29D C29A H29E 109.5 . . ?
H29D C29A H29F 109.5 . . ?
H29E C29A H29F 109.5 . . ?
C26 C28A H28D 109.5 . . ?
C26 C28A H28E 109.5 . . ?
C26 C28A H28F 109.5 . . ?
H28D C28A H28E 109.5 . . ?
H28D C28A H28F 109.5 . . ?
H28E C28A H28F 109.5 . . ?
C26 C27A H27D 109.5 . . ?
C26 C27A H27E 109.5 . . ?
C26 C27A H27F 109.5 . . ?
H27D C27A H27E 109.5 . . ?
H27D C27A H27F 109.5 . . ?
H27E C27A H27F 109.5 . . ?
C30 C31A H31D 109.5 . . ?
C30 C31A H31E 109.5 . . ?
C30 C31A H31F 109.5 . . ?
H31D C31A H31E 109.5 . . ?
H31D C31A H31F 109.5 . . ?
H31E C31A H31F 109.5 . . ?
C30 C32A H32D 109.5 . . ?
C30 C32A H32E 109.5 . . ?
C30 C32A H32F 109.5 . . ?
H32D C32A H32E 109.5 . . ?
H32D C32A H32F 109.5 . . ?
H32E C32A H32F 109.5 . . ?
C30 C33A H33D 109.5 . . ?
C30 C33A H33E 109.5 . . ?
C30 C33A H33F 109.5 . . ?
H33D C33A H33E 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
C48A C46A P1 119.1(12) . . ?
C48A C46A C47A 120.0 . . ?
C47A C46A P1 120.7(12) . . ?
C46A C48A H48A 120.0 . . ?
C46A C48A C50A 120.0 . . ?
C50A C48A H48A 120.0 . . ?
C48A C50A H50A 120.0 . . ?
C51A C50A C48A 120.0 . . ?
C51A C50A H50A 120.0 . . ?
C50A C51A H51A 120.0 . . ?
C50A C51A C49A 120.0 . . ?
C49A C51A H51A 120.0 . . ?
C51A C49A H49A 120.0 . . ?
C47A C49A C51A 120.0 . . ?
C47A C49A H49A 120.0 . . ?
C46A C47A H47A 120.0 . . ?
C49A C47A C46A 120.0 . . ?
C49A C47A H47A 120.0 . . ?
C41A C40A P1 116.6(10) . . ?
C41A C40A C42A 120.0 . . ?
C42A C40A P1 122.6(10) . . ?
C40A C41A H41A 120.0 . . ?
C43A C41A C40A 120.0 . . ?
C43A C41A H41A 120.0 . . ?
C41A C43A H43A 120.0 . . ?
C41A C43A C45A 120.0 . . ?
C45A C43A H43A 120.0 . . ?
C43A C45A H45A 120.0 . . ?
C43A C45A C44A 120.0 . . ?
C44A C45A H45A 120.0 . . ?
C45A C44A H44A 120.0 . . ?
C42A C44A C45A 120.0 . . ?
C42A C44A H44A 120.0 . . ?
C40A C42A H42A 120.0 . . ?
C44A C42A C40A 120.0 . . ?
C44A C42A H42A 120.0 . . ?
C35A C34A P1 118.1(8) . . ?
C35A C34A C36A 120.0 . . ?
C36A C34A P1 120.1(9) . . ?
C34A C35A H35A 120.0 . . ?
C37A C35A C34A 120.0 . . ?
C37A C35A H35A 120.0 . . ?
C35A C37A H37A 120.0 . . ?
C35A C37A C39A 120.0 . . ?
C39A C37A H37A 120.0 . . ?
C37A C39A H39A 120.0 . . ?
C38A C39A C37A 120.0 . . ?
C38A C39A H39A 120.0 . . ?
C39A C38A H38A 120.0 . . ?
C36A C38A C39A 120.0 . . ?
C36A C38A H38A 120.0 . . ?
C34A C36A H36A 120.0 . . ?
C38A C36A C34A 120.0 . . ?
C38A C36A H36A 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C9 C8 -3.7(18) . . . . ?
Dy1 O1 C9 C30 171.5(8) . . . . ?
Dy1 O2 C4 C18 172(3) . . . . ?
Dy1 O2 C4 C5 -7(7) . . . . ?
Dy1 O4 C3 C2 16(5) . . . . ?
Dy1 O4 C3 C14 -150(2) . . . . ?
Dy1 O3 C6 C22 -164.9(13) . . . . ?
Dy1 O3 C6 C5 21(3) . . . . ?
Dy1 O6 C7 C8 12.1(19) . . . . ?
Dy1 O6 C7 C26 -166.4(8) . . . . ?
Dy1 O5 C1 C2 -9(8) . . . . ?
Dy1 O5 C1 C10 165(4) . . . . ?
Dy1 O4A C3A C2A -3(8) . . . . ?
Dy1 O4A C3A C14A 170(4) . . . . ?
Dy1 O5A C1A C2A -11(7) . . . . ?
Dy1 O5A C1A C10A -172(3) . . . . ?
Dy1 O2A C4A C18A -174.2(12) . . . . ?
Dy1 O2A C4A C5A -3(4) . . . . ?
Dy1 O3A C6A C22A 159.8(10) . . . . ?
Dy1 O3A C6A C5A -21(6) . . . . ?
P1 C34 C35 C37 -162.1(7) . . . . ?
P1 C34 C36 C38 161.3(8) . . . . ?
P1 C46 C48 C50 -165.9(11) . . . . ?
P1 C46 C47 C49 166.8(10) . . . . ?
P1 C40 C41 C43 -173.1(16) . . . . ?
P1 C46A C48A C50A 175.3(16) . . . . ?
P1 C46A C47A C49A -175.2(16) . . . . ?
P1 C40A C41A C43A 169.8(11) . . . . ?
P1 C40A C42A C44A -169.2(11) . . . . ?
P1 C34A C35A C37A -165(4) . . . . ?
P1 C34A C36A C38A 164(4) . . . . ?
O1 C9 C8 C7 -3(2) . . . . ?
O1 C9 C30 C31 -101.9(19) . . . . ?
O1 C9 C30 C32 151(2) . . . . ?
O1 C9 C30 C33 40(2) . . . . ?
O1 C9 C30 C31A -131.8(19) . . . . ?
O1 C9 C30 C32A 115(2) . . . . ?
O1 C9 C30 C33A -17(2) . . . . ?
O2 C4 C5 C6 -8(5) . . . . ?
O4 C3 C2 C1 6(6) . . . . ?
O4 C3 C14 C16 -80(3) . . . . ?
O4 C3 C14 C17 48(5) . . . . ?
O4 C3 C14 C15 -177(3) . . . . ?
O6 C7 C8 C9 -1(2) . . . . ?
O6 C7 C26 C28 -81(3) . . . . ?
O6 C7 C26 C29 154(3) . . . . ?
O6 C7 C26 C27 43(3) . . . . ?
O6 C7 C26 C29A -158.5(15) . . . . ?
O6 C7 C26 C28A -35.9(18) . . . . ?
O6 C7 C26 C27A 80.5(17) . . . . ?
O7 P1 C34 C35 87.1(6) . . . . ?
O7 P1 C34 C36 -74.9(7) . . . . ?
O7 P1 C46 C48 -158.6(7) . . . . ?
O7 P1 C46 C47 35.0(9) . . . . ?
O7 P1 C40 C42 178.7(9) . . . . ?
O7 P1 C40 C41 -8.2(13) . . . . ?
O7 P1 C46A C48A -158.1(8) . . . . ?
O7 P1 C46A C47A 17.2(15) . . . . ?
O7 P1 C40A C41A 5.0(10) . . . . ?
O7 P1 C40A C42A 174.5(8) . . . . ?
O7 P1 C34A C35A 47(3) . . . . ?
O7 P1 C34A C36A -118(2) . . . . ?
C8 C9 C30 C31 73(2) . . . . ?
C8 C9 C30 C32 -34(2) . . . . ?
C8 C9 C30 C33 -145(2) . . . . ?
C8 C9 C30 C31A 44(2) . . . . ?
C8 C9 C30 C32A -69(2) . . . . ?
C8 C9 C30 C33A 158.6(19) . . . . ?
C8 C7 C26 C28 101(3) . . . . ?
C8 C7 C26 C29 -24(3) . . . . ?
C8 C7 C26 C27 -136(3) . . . . ?
C8 C7 C26 C29A 23(2) . . . . ?
C8 C7 C26 C28A 145.7(16) . . . . ?
C8 C7 C26 C27A -98.0(18) . . . . ?
C34 P1 C46 C48 -44.3(10) . . . . ?
C34 P1 C46 C47 149.3(7) . . . . ?
C34 P1 C40 C42 72.1(11) . . . . ?
C34 P1 C40 C41 -114.8(10) . . . . ?
C34 C35 C37 C39 0.0 . . . . ?
C35 C34 C36 C38 0.0 . . . . ?
C35 C37 C39 C38 0.0 . . . . ?
C37 C39 C38 C36 0.0 . . . . ?
C39 C38 C36 C34 0.0 . . . . ?
C36 C34 C35 C37 0.0 . . . . ?
C46 P1 C34 C35 -31.4(9) . . . . ?
C46 P1 C34 C36 166.7(9) . . . . ?
C46 P1 C40 C42 -49.9(15) . . . . ?
C46 P1 C40 C41 123.2(11) . . . . ?
C46 C48 C50 C51 0.0 . . . . ?
C48 C46 C47 C49 0.0 . . . . ?
C48 C50 C51 C49 0.0 . . . . ?
C50 C51 C49 C47 0.0 . . . . ?
C51 C49 C47 C46 0.0 . . . . ?
C47 C46 C48 C50 0.0 . . . . ?
C30 C9 C8 C7 -178.0(13) . . . . ?
C26 C7 C8 C9 177.8(13) . . . . ?
C42 C40 C41 C43 0.0 . . . . ?
C40 P1 C34 C35 -164.3(9) . . . . ?
C40 P1 C34 C36 33.8(10) . . . . ?
C40 P1 C46 C48 71.6(14) . . . . ?
C40 P1 C46 C47 -94.8(13) . . . . ?
C40 C42 C44 C45 0.0 . . . . ?
C40 C41 C43 C45 0.0 . . . . ?
C41 C43 C45 C44 0.0 . . . . ?
C43 C45 C44 C42 0.0 . . . . ?
C44 C42 C40 P1 173.0(16) . . . . ?
C44 C42 C40 C41 0.0 . . . . ?
C18 C4 C5 C6 173(2) . . . . ?
C4 C5 C6 O3 3(4) . . . . ?
C4 C5 C6 C22 -171(2) . . . . ?
C3 C2 C1 O5 -8(6) . . . . ?
C3 C2 C1 C10 177(3) . . . . ?
C23 C22 C6 O3 150.7(19) . . . . ?
C23 C22 C6 C5 -35(3) . . . . ?
C2 C3 C14 C16 114(3) . . . . ?
C2 C3 C14 C17 -118(4) . . . . ?
C2 C3 C14 C15 18(4) . . . . ?
C21 C18 C4 O2 82(3) . . . . ?
C21 C18 C4 C5 -99(3) . . . . ?
C20 C18 C4 O2 -158(3) . . . . ?
C20 C18 C4 C5 21(3) . . . . ?
C19 C18 C4 O2 -46(3) . . . . ?
C19 C18 C4 C5 133(3) . . . . ?
C25 C22 C6 O3 -107(2) . . . . ?
C25 C22 C6 C5 67(3) . . . . ?
C14 C3 C2 C1 171(3) . . . . ?
C12 C10 C1 O5 87(5) . . . . ?
C12 C10 C1 C2 -99(3) . . . . ?
C11 C10 C1 O5 -14(5) . . . . ?
C11 C10 C1 C2 160(3) . . . . ?
C13 C10 C1 O5 -135(4) . . . . ?
C13 C10 C1 C2 39(5) . . . . ?
C24 C22 C6 O3 18(3) . . . . ?
C24 C22 C6 C5 -168(2) . . . . ?
O4A C3A C2A C1A -16(5) . . . . ?
O4A C3A C14A C16A -105(4) . . . . ?
O4A C3A C14A C17A 43(4) . . . . ?
O4A C3A C14A C15A 149(3) . . . . ?
C3A C2A C1A O5A 24(6) . . . . ?
C3A C2A C1A C10A -177(2) . . . . ?
C2A C3A C14A C16A 69(4) . . . . ?
C2A C3A C14A C17A -144(3) . . . . ?
C2A C3A C14A C15A -38(4) . . . . ?
C14A C3A C2A C1A 172(3) . . . . ?
C12A C10A C1A O5A 171(3) . . . . ?
C12A C10A C1A C2A 5(3) . . . . ?
C11A C10A C1A O5A 52(3) . . . . ?
C11A C10A C1A C2A -114(3) . . . . ?
C13A C10A C1A O5A -73(3) . . . . ?
C13A C10A C1A C2A 121(3) . . . . ?
O2A C4A C5A C6A 12(5) . . . . ?
C18A C4A C5A C6A -177(3) . . . . ?
C4A C5A C6A O3A 2(6) . . . . ?
C4A C5A C6A C22A -178(2) . . . . ?
C23A C22A C6A O3A 159(2) . . . . ?
C23A C22A C6A C5A -21(3) . . . . ?
C21A C18A C4A O2A 130(2) . . . . ?
C21A C18A C4A C5A -42(3) . . . . ?
C20A C18A C4A O2A -113(2) . . . . ?
C20A C18A C4A C5A 74(3) . . . . ?
C19A C18A C4A O2A 11(3) . . . . ?
C19A C18A C4A C5A -162(2) . . . . ?
C25A C22A C6A O3A -82(2) . . . . ?
C25A C22A C6A C5A 98(3) . . . . ?
C24A C22A C6A O3A 40(3) . . . . ?
C24A C22A C6A C5A -140(3) . . . . ?
C46A P1 C40A C41A 123.0(10) . . . . ?
C46A P1 C40A C42A -67.4(11) . . . . ?
C46A P1 C34A C35A -79(3) . . . . ?
C46A P1 C34A C36A 116(3) . . . . ?
C46A C48A C50A C51A 0.0 . . . . ?
C48A C46A C47A C49A 0.0 . . . . ?
C48A C50A C51A C49A 0.0 . . . . ?
C50A C51A C49A C47A 0.0 . . . . ?
C51A C49A C47A C46A 0.0 . . . . ?
C47A C46A C48A C50A 0.0 . . . . ?
C40A P1 C46A C48A 86.0(12) . . . . ?
C40A P1 C46A C47A -98.8(13) . . . . ?
C40A P1 C34A C35A -178(2) . . . . ?
C40A P1 C34A C36A 17(3) . . . . ?
C40A C41A C43A C45A 0.0 . . . . ?
C41A C40A C42A C44A 0.0 . . . . ?
C41A C43A C45A C44A 0.0 . . . . ?
C43A C45A C44A C42A 0.0 . . . . ?
C45A C44A C42A C40A 0.0 . . . . ?
C42A C40A C41A C43A 0.0 . . . . ?
C34A P1 C46A C48A -33.2(14) . . . . ?
C34A P1 C46A C47A 142.0(13) . . . . ?
C34A P1 C40A C41A -130(2) . . . . ?
C34A P1 C40A C42A 39(2) . . . . ?
C34A C35A C37A C39A 0.0 . . . . ?
C35A C34A C36A C38A 0.0 . . . . ?
C35A C37A C39A C38A 0.0 . . . . ?
C37A C39A C38A C36A 0.0 . . . . ?
C39A C38A C36A C34A 0.0 . . . . ?
C36A C34A C35A C37A 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.498
_oxdiff_exptl_absorpt_empirical_full_min 0.811

# start Validation Reply Form
_vrf_PLAT910_czw-300-a_auto      
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         16 Note  
RESPONSE: These were likely obstructed by the beam stop.
;
# end Validation Reply Form
