#------------------------------------------------------------------------------
#$Date: 2022-03-05 01:50:53 +0200 (Sat, 05 Mar 2022) $
#$Revision: 273444 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/96/7709648.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7709648
loop_
_publ_author_name
'Lin, Wei-Quan'
'Wang, Dan-Ru'
'Long, Wei-Jian'
'Lin, Li-Shan'
'Tao, Ze-Xian'
'Liu, Jun-Liang'
'Liu, Zhao-Qing'
'Leng, Ji-Dong'
_publ_section_title
;
 Stereoisomeric coordination polymers based on facial and meridional
 six-coordinate dysprosium(III)
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00334A
_journal_year                    2022
_chemical_formula_moiety         'C156 H144 Cl12 Dy4 O12 P12'
_chemical_formula_sum            'C156 H144 Cl12 Dy4 O12 P12'
_chemical_formula_weight         3657.74
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2021-12-21
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2021-12-30 deposited with the CCDC.	2022-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   35.6799(2)
_cell_length_b                   35.6799(2)
_cell_length_c                   21.42150(10)
_cell_measurement_reflns_used    21587
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.6870
_cell_measurement_theta_min      2.4580
_cell_volume                     23617.2(2)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -48.00  20.00   0.50    0.80    --  -46.37  45.00  11.00  136
  2  ω    -72.00 -46.00   0.50    3.20    -- -102.00  45.00  11.00   52
  3  ω    -73.00 -42.00   0.50    3.20    -- -102.00  45.00  60.00   62
  4  ω   -112.00 -59.00   0.50    3.20    -- -102.00  61.00  30.00  106
  5  ω   -171.00-127.00   0.50    3.20    -- -102.00 -61.00-108.00   88
  6  ω   -118.00 -93.00   0.50    0.80    --  -46.37-125.00-180.00   50
  7  ω   -113.00 -83.00   0.50    0.80    --  -46.37-125.00  30.00   60
  8  ω   -116.00 -79.00   0.50    0.80    --  -46.37-125.00  90.00   74
  9  ω     33.00  65.00   0.50    3.20    --  107.00 -30.00 150.00   64
 10  ω     33.00  58.00   0.50    3.20    --  107.00 -30.00  90.00   50
 11  ω     37.00 100.00   0.50    3.20    --  107.00 -94.00 120.00  126
 12  ω     43.00  69.00   0.50    3.20    --  107.00 -30.00 -60.00   52
 13  ω     46.00  71.00   0.50    3.20    --  107.00 -30.00 -90.00   50
 14  ω     33.00  59.00   0.50    3.20    --  107.00 -30.00-150.00   52
 15  ω     34.00  71.00   0.50    3.20    --  107.00 -30.00-180.00   74
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0353988000
_diffrn_orient_matrix_UB_12      -0.0479011000
_diffrn_orient_matrix_UB_13      0.0061632000
_diffrn_orient_matrix_UB_21      -0.0147672000
_diffrn_orient_matrix_UB_22      0.0102219000
_diffrn_orient_matrix_UB_23      0.0621611000
_diffrn_orient_matrix_UB_31      -0.0318509000
_diffrn_orient_matrix_UB_32      0.0094158000
_diffrn_orient_matrix_UB_33      -0.0356380000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.944
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            28652
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.944
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.900
_diffrn_reflns_theta_min         2.477
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    13.465
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44478
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_description       needle
_exptl_crystal_F_000             10944
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.668
_refine_diff_density_min         -2.256
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     589
_refine_ls_number_reflns         10478
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0495
_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)+(0.0465P)²+332.3649P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1200
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10056
_reflns_number_total             10478
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00334a2.cif
_cod_data_source_block           181214d3_dycl3_rf
_cod_original_cell_volume        23617.2(3)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7709648
_shelx_shelxl_version_number     2017/1
_chemical_oxdiff_formula         'Dy P O C H Cl'
_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.
;
_shelx_estimated_absorpt_t_max   0.552
_shelx_estimated_absorpt_t_min   0.346
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C39(H39A,H39B), C40(H40A,H40B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23),
  C24(H24), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30), C31(H31),
 C32(H32), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C42(H42), C43(H43),
  C44(H44), C45(H45), C46(H46), C48(H48), C49(H49), C50(H50), C51(H51), C52(H52)
;
_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 2.071
_oxdiff_exptl_absorpt_empirical_full_min 0.679
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 0.32604(2) 0.41875(2) 0.41635(2) 0.02459(8) Uani 1 1 d . . . . .
Dy2 Dy 0.333333 0.666667 0.43699(3) 0.03088(12) Uani 1 3 d S T P . .
Cl1 Cl 0.38842(4) 0.40674(4) 0.45906(7) 0.0466(3) Uani 1 1 d . . . . .
Cl2 Cl 0.37660(4) 0.47763(4) 0.33620(6) 0.0391(3) Uani 1 1 d . . . . .
Cl3 Cl 0.25538(4) 0.42003(3) 0.38162(5) 0.0311(2) Uani 1 1 d . . . . .
Cl4 Cl 0.27046(3) 0.60499(3) 0.50190(6) 0.0360(3) Uani 1 1 d . . . . .
P1 P 0.33489(4) 0.31083(4) 0.63996(7) 0.0378(3) Uani 1 1 d . . . . .
P2 P 0.24924(4) 0.34218(5) 0.53486(7) 0.0462(4) Uani 1 1 d . . . . .
P3 P 0.36559(3) 0.52347(3) 0.49160(5) 0.0223(2) Uani 1 1 d . . . . .
P4 P 0.29565(3) 0.56282(3) 0.35997(6) 0.0248(2) Uani 1 1 d . . . . .
O1 O 0.30582(12) 0.36174(10) 0.35236(17) 0.0372(8) Uani 1 1 d . . . . .
O2 O 0.28267(11) 0.37344(11) 0.48984(17) 0.0375(8) Uani 1 1 d . . . . .
O3 O 0.34522(10) 0.47551(9) 0.47893(14) 0.0254(6) Uani 1 1 d . . . . .
O4 O 0.31872(10) 0.61111(9) 0.37100(17) 0.0314(7) Uani 1 1 d . . . . .
C1 C 0.35308(15) 0.28649(15) 0.5829(2) 0.0350(11) Uani 1 1 d . . . . .
C2 C 0.37505(17) 0.30931(17) 0.5290(3) 0.0432(12) Uani 1 1 d . . . . .
H2 H 0.378406 0.336985 0.520673 0.052 Uiso 1 1 calc R U . . .
C3 C 0.3915(2) 0.2918(2) 0.4886(3) 0.0557(16) Uani 1 1 d . . . . .
H3 H 0.406032 0.307179 0.451929 0.067 Uiso 1 1 calc R U . . .
C4 C 0.3874(2) 0.2523(2) 0.5002(3) 0.0637(18) Uani 1 1 d . . . . .
H4 H 0.399778 0.240799 0.472114 0.076 Uiso 1 1 calc R U . . .
C5 C 0.3655(2) 0.2288(2) 0.5524(3) 0.0609(17) Uani 1 1 d . . . . .
H5 H 0.362503 0.201205 0.560085 0.073 Uiso 1 1 calc R U . . .
C6 C 0.34788(19) 0.24568(17) 0.5934(3) 0.0459(13) Uani 1 1 d . . . . .
H6 H 0.332167 0.229396 0.628800 0.055 Uiso 1 1 calc R U . . .
C7 C 0.38271(18) 0.35357(16) 0.6813(4) 0.0531(18) Uani 1 1 d . . . . .
C8 C 0.39314(19) 0.3448(2) 0.7386(3) 0.0572(16) Uani 1 1 d . . . . .
H8 H 0.375677 0.317004 0.756605 0.069 Uiso 1 1 calc R U . . .
C9 C 0.4293(2) 0.3762(3) 0.7711(4) 0.073(2) Uani 1 1 d . . . . .
H9 H 0.435619 0.369833 0.811468 0.087 Uiso 1 1 calc R U . . .
C10 C 0.4550(2) 0.4151(2) 0.7460(4) 0.068(2) Uani 1 1 d . . . . .
H10 H 0.480524 0.435533 0.767189 0.082 Uiso 1 1 calc R U . . .
C11 C 0.4446(2) 0.4254(2) 0.6903(4) 0.0628(18) Uani 1 1 d . . . . .
H11 H 0.461270 0.454114 0.674733 0.075 Uiso 1 1 calc R U . . .
C12 C 0.4089(2) 0.3937(2) 0.6545(4) 0.0652(19) Uani 1 1 d . . . . .
H12 H 0.403277 0.400011 0.613598 0.078 Uiso 1 1 calc R U . . .
C13 C 0.31187(18) 0.3406(2) 0.6054(3) 0.0487(14) Uani 1 1 d . . . . .
H13A H 0.305960 0.356458 0.638330 0.058 Uiso 1 1 calc R U . . .
H13B H 0.332689 0.362058 0.575494 0.058 Uiso 1 1 calc R U . . .
C14 C 0.27086(19) 0.31053(18) 0.5724(3) 0.0463(13) Uani 1 1 d . . . . .
H14A H 0.249499 0.289855 0.602561 0.056 Uiso 1 1 calc R U . . .
H14B H 0.276459 0.293850 0.540513 0.056 Uiso 1 1 calc R U . . .
C15 C 0.20081(17) 0.30341(18) 0.4965(3) 0.0448(14) Uani 1 1 d . . . . .
C16 C 0.16667(19) 0.2696(2) 0.5288(3) 0.0605(19) Uani 1 1 d . . . . .
H16 H 0.168708 0.266395 0.572476 0.073 Uiso 1 1 calc R U . . .
C17 C 0.12966(19) 0.2408(2) 0.4963(4) 0.0603(18) Uani 1 1 d . . . . .
H17 H 0.106726 0.217468 0.518150 0.072 Uiso 1 1 calc R U . . .
C18 C 0.1252(2) 0.2451(2) 0.4338(3) 0.0581(16) Uani 1 1 d . . . . .
H18 H 0.099236 0.225770 0.412603 0.070 Uiso 1 1 calc R U . . .
C19 C 0.1595(2) 0.27805(19) 0.4025(3) 0.0573(16) Uani 1 1 d . . . . .
H19 H 0.157276 0.281190 0.358833 0.069 Uiso 1 1 calc R U . . .
C20 C 0.19723(19) 0.30680(18) 0.4334(3) 0.0459(13) Uani 1 1 d . . . . .
H20 H 0.220723 0.328975 0.410679 0.055 Uiso 1 1 calc R U . . .
C21 C 0.23672(18) 0.3698(2) 0.5906(3) 0.0483(14) Uani 1 1 d . . . . .
C22 C 0.2423(2) 0.4091(3) 0.5758(4) 0.071(2) Uani 1 1 d . . . . .
H22 H 0.252239 0.420419 0.535176 0.085 Uiso 1 1 calc R U . . .
C23 C 0.2338(3) 0.4338(3) 0.6185(4) 0.087(3) Uani 1 1 d . . . . .
H23 H 0.237351 0.461178 0.607449 0.104 Uiso 1 1 calc R U . . .
C24 C 0.2196(2) 0.4159(2) 0.6789(3) 0.0536(15) Uani 1 1 d . . . . .
H24 H 0.213895 0.431621 0.709656 0.064 Uiso 1 1 calc R U . . .
C25 C 0.2140(2) 0.3757(3) 0.6929(4) 0.071(2) Uani 1 1 d . . . . .
H25 H 0.204151 0.364057 0.733422 0.085 Uiso 1 1 calc R U . . .
C26 C 0.2222(2) 0.3522(2) 0.6505(3) 0.0558(15) Uani 1 1 d . . . . .
H26 H 0.218093 0.324601 0.661016 0.067 Uiso 1 1 calc R U . . .
C27 C 0.42361(14) 0.55064(14) 0.4891(2) 0.0252(8) Uani 1 1 d . . . . .
C28 C 0.44492(15) 0.52750(16) 0.4773(2) 0.0317(10) Uani 1 1 d . . . . .
H28 H 0.428863 0.497029 0.471558 0.038 Uiso 1 1 calc R U . . .
C29 C 0.48970(16) 0.54940(18) 0.4741(3) 0.0400(12) Uani 1 1 d . . . . .
H29 H 0.504379 0.533838 0.466141 0.048 Uiso 1 1 calc R U . . .
C30 C 0.51317(16) 0.59376(18) 0.4824(3) 0.0410(12) Uani 1 1 d . . . . .
H30 H 0.543876 0.608483 0.480337 0.049 Uiso 1 1 calc R U . . .
C31 C 0.49229(16) 0.61665(16) 0.4936(2) 0.0358(11) Uani 1 1 d . . . . .
H31 H 0.508565 0.647144 0.499027 0.043 Uiso 1 1 calc R U . . .
C32 C 0.44753(15) 0.59530(15) 0.4971(2) 0.0305(9) Uani 1 1 d . . . . .
H32 H 0.433145 0.611159 0.505037 0.037 Uiso 1 1 calc R U . . .
C33 C 0.34948(15) 0.53042(15) 0.5680(2) 0.0324(10) Uani 1 1 d . . . . .
C34 C 0.3471(2) 0.5022(2) 0.6138(3) 0.0605(18) Uani 1 1 d . . . . .
H34 H 0.352314 0.479211 0.603813 0.073 Uiso 1 1 calc R U . . .
C35 C 0.3370(3) 0.5075(3) 0.6748(3) 0.084(3) Uani 1 1 d . . . . .
H35 H 0.336032 0.488507 0.706772 0.101 Uiso 1 1 calc R U . . .
C36 C 0.3286(3) 0.5400(3) 0.6888(3) 0.084(3) Uani 1 1 d . . . . .
H36 H 0.320921 0.542967 0.730243 0.101 Uiso 1 1 calc R U . . .
C37 C 0.3311(3) 0.5678(2) 0.6444(4) 0.082(3) Uani 1 1 d . . . . .
H37 H 0.325449 0.590351 0.654784 0.098 Uiso 1 1 calc R U . . .
C38 C 0.3420(2) 0.56364(17) 0.5831(3) 0.0546(17) Uani 1 1 d . . . . .
H38 H 0.344256 0.583644 0.551983 0.065 Uiso 1 1 calc R U . . .
C39 C 0.35223(13) 0.55151(13) 0.4336(2) 0.0239(8) Uani 1 1 d . . . . .
H39A H 0.365752 0.582307 0.446011 0.029 Uiso 1 1 calc R U . . .
H39B H 0.365377 0.550401 0.393485 0.029 Uiso 1 1 calc R U . . .
C40 C 0.30372(13) 0.53409(13) 0.4229(2) 0.0241(8) Uani 1 1 d . . . . .
H40A H 0.290511 0.537494 0.461579 0.029 Uiso 1 1 calc R U . . .
H40B H 0.289308 0.502865 0.412756 0.029 Uiso 1 1 calc R U . . .
C41 C 0.31644(14) 0.55323(14) 0.2888(2) 0.0285(9) Uani 1 1 d . . . . .
C42 C 0.31123(19) 0.51324(18) 0.2743(3) 0.0426(12) Uani 1 1 d . . . . .
H42 H 0.297788 0.490200 0.303526 0.051 Uiso 1 1 calc R U . . .
C43 C 0.3254(2) 0.5064(2) 0.2176(3) 0.0515(14) Uani 1 1 d . . . . .
H43 H 0.321476 0.478627 0.208267 0.062 Uiso 1 1 calc R U . . .
C44 C 0.34490(18) 0.5387(2) 0.1752(3) 0.0523(16) Uani 1 1 d . . . . .
H44 H 0.353644 0.533402 0.135854 0.063 Uiso 1 1 calc R U . . .
C45 C 0.3519(2) 0.5793(2) 0.1896(3) 0.0594(18) Uani 1 1 d . . . . .
H45 H 0.366728 0.602421 0.160931 0.071 Uiso 1 1 calc R U . . .
C46 C 0.33732(17) 0.58668(18) 0.2460(3) 0.0452(13) Uani 1 1 d . . . . .
H46 H 0.341651 0.614611 0.255228 0.054 Uiso 1 1 calc R U . . .
C47 C 0.23801(14) 0.54018(14) 0.3510(2) 0.0284(9) Uani 1 1 d . . . . .
C48 C 0.20957(15) 0.49594(15) 0.3554(3) 0.0369(11) Uani 1 1 d . . . . .
H48 H 0.220211 0.476906 0.364593 0.044 Uiso 1 1 calc R U . . .
C49 C 0.16593(16) 0.47969(17) 0.3463(3) 0.0436(13) Uani 1 1 d . . . . .
H49 H 0.146516 0.449414 0.349363 0.052 Uiso 1 1 calc R U . . .
C50 C 0.15011(15) 0.50734(18) 0.3327(3) 0.0408(12) Uani 1 1 d . . . . .
H50 H 0.119955 0.496036 0.326821 0.049 Uiso 1 1 calc R U . . .
C51 C 0.17840(16) 0.55129(17) 0.3279(3) 0.0389(12) Uani 1 1 d . . . . .
H51 H 0.167786 0.570217 0.317741 0.047 Uiso 1 1 calc R U . . .
C52 C 0.22231(15) 0.56781(16) 0.3377(2) 0.0348(10) Uani 1 1 d . . . . .
H52 H 0.241654 0.598126 0.335392 0.042 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Cl1 Dy1 Cl3 171.61(4) . . ?
Cl2 Dy1 Cl1 93.39(4) . . ?
Cl2 Dy1 Cl3 94.71(4) . . ?
O1 Dy1 Cl1 88.83(10) . . ?
O1 Dy1 Cl2 96.14(9) . . ?
O1 Dy1 Cl3 88.11(10) . . ?
O2 Dy1 Cl1 88.47(9) . . ?
O2 Dy1 Cl2 174.59(10) . . ?
O2 Dy1 Cl3 83.66(9) . . ?
O2 Dy1 O1 88.98(13) . . ?
O3 Dy1 Cl1 92.19(8) . . ?
O3 Dy1 Cl2 83.67(8) . . ?
O3 Dy1 Cl3 90.90(8) . . ?
O3 Dy1 O1 178.97(13) . . ?
O3 Dy1 O2 91.18(12) . . ?
Cl4 Dy2 Cl4 94.47(4) 3_565 2_665 ?
Cl4 Dy2 Cl4 94.47(4) 3_565 . ?
Cl4 Dy2 Cl4 94.47(4) . 2_665 ?
O4 Dy2 Cl4 98.28(8) 3_565 . ?
O4 Dy2 Cl4 167.09(8) 3_565 2_665 ?
O4 Dy2 Cl4 98.28(8) 2_665 3_565 ?
O4 Dy2 Cl4 82.58(9) 2_665 2_665 ?
O4 Dy2 Cl4 167.09(8) . 3_565 ?
O4 Dy2 Cl4 82.59(9) . . ?
O4 Dy2 Cl4 167.09(8) 2_665 . ?
O4 Dy2 Cl4 82.58(9) 3_565 3_565 ?
O4 Dy2 Cl4 98.28(8) . 2_665 ?
O4 Dy2 O4 85.40(12) 3_565 2_665 ?
O4 Dy2 O4 85.40(12) 2_665 . ?
O4 Dy2 O4 85.40(12) 3_565 . ?
O1 P1 C1 110.3(2) 5 . ?
O1 P1 C7 109.9(3) 5 . ?
O1 P1 C13 112.6(2) 5 . ?
C1 P1 C7 108.5(2) . . ?
C13 P1 C1 112.8(3) . . ?
C13 P1 C7 102.4(3) . . ?
O2 P2 C14 108.3(2) . . ?
O2 P2 C15 112.4(2) . . ?
O2 P2 C21 110.6(3) . . ?
C15 P2 C14 105.4(3) . . ?
C21 P2 C14 110.6(3) . . ?
C21 P2 C15 109.3(3) . . ?
O3 P3 C27 112.18(19) . . ?
O3 P3 C33 108.3(2) . . ?
O3 P3 C39 113.20(19) . . ?
C27 P3 C39 103.5(2) . . ?
C33 P3 C27 108.4(2) . . ?
C33 P3 C39 111.1(2) . . ?
O4 P4 C40 112.4(2) . . ?
O4 P4 C41 107.9(2) . . ?
O4 P4 C47 112.11(19) . . ?
C40 P4 C47 107.2(2) . . ?
C41 P4 C40 109.1(2) . . ?
C41 P4 C47 108.0(2) . . ?
P1 O1 Dy1 159.8(2) 9_554 . ?
P2 O2 Dy1 173.6(2) . . ?
P3 O3 Dy1 152.94(19) . . ?
P4 O4 Dy2 148.0(2) . . ?
C2 C1 P1 120.7(4) . . ?
C6 C1 P1 120.3(4) . . ?
C6 C1 C2 118.9(5) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0(5) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.8(6) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.5(7) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.6(6) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 H6 119.9 . . ?
C5 C6 C1 120.2(5) . . ?
C5 C6 H6 119.9 . . ?
C8 C7 P1 119.1(4) . . ?
C8 C7 C12 119.4(7) . . ?
C12 C7 P1 121.4(6) . . ?
C7 C8 H8 119.6 . . ?
C7 C8 C9 120.8(7) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.7(8) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 119.9(7) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.9(6) . . ?
C12 C11 H11 119.6 . . ?
C7 C12 C11 118.0(8) . . ?
C7 C12 H12 121.0 . . ?
C11 C12 H12 121.0 . . ?
P1 C13 H13A 109.6 . . ?
P1 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
C14 C13 P1 110.1(4) . . ?
C14 C13 H13A 109.6 . . ?
C14 C13 H13B 109.6 . . ?
P2 C14 H14A 109.9 . . ?
P2 C14 H14B 109.9 . . ?
C13 C14 P2 109.1(4) . . ?
C13 C14 H14A 109.9 . . ?
C13 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C16 C15 P2 122.1(5) . . ?
C20 C15 P2 118.9(4) . . ?
C20 C15 C16 119.1(6) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 C15 119.2(6) . . ?
C17 C16 H16 120.4 . . ?
C16 C17 H17 119.0 . . ?
C18 C17 C16 122.0(6) . . ?
C18 C17 H17 119.0 . . ?
C17 C18 H18 121.0 . . ?
C17 C18 C19 118.1(7) . . ?
C19 C18 H18 121.0 . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.3(7) . . ?
C20 C19 H19 119.4 . . ?
C15 C20 C19 120.4(5) . . ?
C15 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 P2 118.7(5) . . ?
C22 C21 C26 120.4(6) . . ?
C26 C21 P2 120.9(5) . . ?
C21 C22 H22 118.9 . . ?
C21 C22 C23 122.1(8) . . ?
C23 C22 H22 118.9 . . ?
C22 C23 H23 121.5 . . ?
C22 C23 C24 116.9(9) . . ?
C24 C23 H23 121.5 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0(6) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 119.0 . . ?
C26 C25 C24 122.0(7) . . ?
C26 C25 H25 119.0 . . ?
C21 C26 H26 120.7 . . ?
C25 C26 C21 118.6(7) . . ?
C25 C26 H26 120.7 . . ?
C28 C27 P3 120.5(4) . . ?
C32 C27 P3 119.7(3) . . ?
C32 C27 C28 119.7(4) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 C27 119.4(5) . . ?
C29 C28 H28 120.3 . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.4(5) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.3(5) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.1(5) . . ?
C32 C31 H31 120.0 . . ?
C27 C32 H32 120.0 . . ?
C31 C32 C27 120.1(4) . . ?
C31 C32 H32 120.0 . . ?
C34 C33 P3 117.1(4) . . ?
C38 C33 P3 123.1(4) . . ?
C38 C33 C34 119.7(5) . . ?
C33 C34 H34 120.2 . . ?
C33 C34 C35 119.6(7) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.1(8) . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 119.7 . . ?
C37 C36 C35 120.5(6) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 H37 119.8 . . ?
C36 C37 C38 120.5(7) . . ?
C38 C37 H37 119.8 . . ?
C33 C38 C37 119.6(6) . . ?
C33 C38 H38 120.2 . . ?
C37 C38 H38 120.2 . . ?
P3 C39 H39A 108.3 . . ?
P3 C39 H39B 108.3 . . ?
H39A C39 H39B 107.4 . . ?
C40 C39 P3 115.8(3) . . ?
C40 C39 H39A 108.3 . . ?
C40 C39 H39B 108.3 . . ?
P4 C40 H40A 109.6 . . ?
P4 C40 H40B 109.6 . . ?
C39 C40 P4 110.5(3) . . ?
C39 C40 H40A 109.6 . . ?
C39 C40 H40B 109.6 . . ?
H40A C40 H40B 108.1 . . ?
C42 C41 P4 122.1(4) . . ?
C42 C41 C46 118.5(5) . . ?
C46 C41 P4 119.3(4) . . ?
C41 C42 H42 119.8 . . ?
C41 C42 C43 120.5(5) . . ?
C43 C42 H42 119.8 . . ?
C42 C43 H43 119.5 . . ?
C44 C43 C42 121.1(6) . . ?
C44 C43 H43 119.5 . . ?
C43 C44 H44 120.3 . . ?
C43 C44 C45 119.4(6) . . ?
C45 C44 H44 120.3 . . ?
C44 C45 H45 119.8 . . ?
C44 C45 C46 120.4(5) . . ?
C46 C45 H45 119.8 . . ?
C41 C46 C45 120.1(6) . . ?
C41 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C48 C47 P4 121.6(3) . . ?
C52 C47 P4 118.6(3) . . ?
C52 C47 C48 119.8(4) . . ?
C47 C48 H48 120.0 . . ?
C49 C48 C47 119.9(5) . . ?
C49 C48 H48 120.0 . . ?
C48 C49 H49 119.8 . . ?
C48 C49 C50 120.4(5) . . ?
C50 C49 H49 119.8 . . ?
C49 C50 H50 120.1 . . ?
C51 C50 C49 119.7(4) . . ?
C51 C50 H50 120.1 . . ?
C50 C51 H51 120.0 . . ?
C50 C51 C52 120.0(5) . . ?
C52 C51 H51 120.0 . . ?
C47 C52 C51 120.1(4) . . ?
C47 C52 H52 119.9 . . ?
C51 C52 H52 119.9 . . ?
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 Cl1 2.6320(12) . ?
Dy1 Cl2 2.6126(11) . ?
Dy1 Cl3 2.6506(11) . ?
Dy1 O1 2.251(3) . ?
Dy1 O2 2.233(3) . ?
Dy1 O3 2.232(3) . ?
Dy2 Cl4 2.6214(11) . ?
Dy2 Cl4 2.6215(11) 2_665 ?
Dy2 Cl4 2.6212(11) 3_565 ?
Dy2 O4 2.273(3) . ?
Dy2 O4 2.273(3) 2_665 ?
Dy2 O4 2.273(3) 3_565 ?
P1 O1 1.500(3) 5 ?
P1 C1 1.798(6) . ?
P1 C7 1.849(7) . ?
P1 C13 1.796(6) . ?
P2 O2 1.505(3) . ?
P2 C14 1.841(6) . ?
P2 C15 1.784(6) . ?
P2 C21 1.744(6) . ?
P3 O3 1.512(3) . ?
P3 C27 1.795(4) . ?
P3 C33 1.793(5) . ?
P3 C39 1.802(4) . ?
P4 O4 1.511(3) . ?
P4 C40 1.802(4) . ?
P4 C41 1.802(5) . ?
P4 C47 1.805(4) . ?
C1 C2 1.405(7) . ?
C1 C6 1.391(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.362(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.365(10) . ?
C4 H4 0.9500 . ?
C4 C5 1.383(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.380(9) . ?
C6 H6 0.9500 . ?
C7 C8 1.363(10) . ?
C7 C12 1.383(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.401(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.335(11) . ?
C10 H10 0.9500 . ?
C10 C11 1.353(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.434(10) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.491(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.395(8) . ?
C15 C20 1.369(9) . ?
C16 H16 0.9500 . ?
C16 C17 1.389(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.364(10) . ?
C18 H18 0.9500 . ?
C18 C19 1.376(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.386(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.352(11) . ?
C21 C26 1.407(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.403(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.420(12) . ?
C24 H24 0.9500 . ?
C24 C25 1.378(11) . ?
C25 H25 0.9500 . ?
C25 C26 1.364(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.397(6) . ?
C27 C32 1.392(6) . ?
C28 H28 0.9500 . ?
C28 C29 1.385(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.383(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.374(7) . ?
C31 H31 0.9500 . ?
C31 C32 1.386(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.379(8) . ?
C33 C38 1.377(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.394(9) . ?
C35 H35 0.9500 . ?
C35 C36 1.371(13) . ?
C36 H36 0.9500 . ?
C36 C37 1.343(13) . ?
C37 H37 0.9500 . ?
C37 C38 1.399(9) . ?
C38 H38 0.9500 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.536(6) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.379(7) . ?
C41 C46 1.390(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.384(8) . ?
C43 H43 0.9500 . ?
C43 C44 1.355(9) . ?
C44 H44 0.9500 . ?
C44 C45 1.376(10) . ?
C45 H45 0.9500 . ?
C45 C46 1.390(9) . ?
C46 H46 0.9500 . ?
C47 C48 1.389(6) . ?
C47 C52 1.385(6) . ?
C48 H48 0.9500 . ?
C48 C49 1.377(7) . ?
C49 H49 0.9500 . ?
C49 C50 1.391(8) . ?
C50 H50 0.9500 . ?
C50 C51 1.380(7) . ?
C51 H51 0.9500 . ?
C51 C52 1.387(7) . ?
C52 H52 0.9500 . ?
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
P1 C1 C2 C3 175.0(4) . . . . ?
P1 C1 C6 C5 -173.9(5) . . . . ?
P1 C7 C8 C9 179.5(5) . . . . ?
P1 C7 C12 C11 178.3(5) . . . . ?
P1 C13 C14 P2 -177.7(3) . . . . ?
P2 C15 C16 C17 179.3(5) . . . . ?
P2 C15 C20 C19 -177.9(5) . . . . ?
P2 C21 C22 C23 -178.7(6) . . . . ?
P2 C21 C26 C25 178.2(5) . . . . ?
P3 C27 C28 C29 178.4(4) . . . . ?
P3 C27 C32 C31 -178.3(4) . . . . ?
P3 C33 C34 C35 176.6(6) . . . . ?
P3 C33 C38 C37 -177.6(5) . . . . ?
P3 C39 C40 P4 -175.8(2) . . . . ?
P4 C41 C42 C43 176.3(5) . . . . ?
P4 C41 C46 C45 -177.2(4) . . . . ?
P4 C47 C48 C49 -178.0(4) . . . . ?
P4 C47 C52 C51 177.2(4) . . . . ?
O1 P1 C1 C2 168.5(4) 5 . . . ?
O1 P1 C1 C6 -15.4(5) 5 . . . ?
O1 P1 C7 C8 20.8(5) 5 . . . ?
O1 P1 C7 C12 -161.3(5) 5 . . . ?
O1 P1 C13 C14 -58.9(5) 5 . . . ?
O2 P2 C14 C13 59.1(5) . . . . ?
O2 P2 C15 C16 175.7(5) . . . . ?
O2 P2 C15 C20 -3.9(5) . . . . ?
O2 P2 C21 C22 26.0(6) . . . . ?
O2 P2 C21 C26 -152.5(5) . . . . ?
O3 P3 C27 C28 -0.8(4) . . . . ?
O3 P3 C27 C32 177.3(3) . . . . ?
O3 P3 C33 C34 38.4(5) . . . . ?
O3 P3 C33 C38 -145.4(5) . . . . ?
O3 P3 C39 C40 56.0(4) . . . . ?
O4 P4 C40 C39 -56.4(3) . . . . ?
O4 P4 C41 C42 161.9(4) . . . . ?
O4 P4 C41 C46 -20.0(4) . . . . ?
O4 P4 C47 C48 -164.4(4) . . . . ?
O4 P4 C47 C52 17.4(5) . . . . ?
C1 P1 C7 C8 -99.8(5) . . . . ?
C1 P1 C7 C12 78.1(5) . . . . ?
C1 P1 C13 C14 66.7(5) . . . . ?
C1 C2 C3 C4 -0.8(9) . . . . ?
C2 C1 C6 C5 2.3(8) . . . . ?
C2 C3 C4 C5 1.7(11) . . . . ?
C3 C4 C5 C6 -0.5(11) . . . . ?
C4 C5 C6 C1 -1.5(10) . . . . ?
C6 C1 C2 C3 -1.2(8) . . . . ?
C7 P1 C1 C2 -71.1(5) . . . . ?
C7 P1 C1 C6 105.0(5) . . . . ?
C7 P1 C13 C14 -176.9(4) . . . . ?
C7 C8 C9 C10 -1.8(11) . . . . ?
C8 C7 C12 C11 -3.8(9) . . . . ?
C8 C9 C10 C11 4.3(12) . . . . ?
C9 C10 C11 C12 -6.6(12) . . . . ?
C10 C11 C12 C7 6.4(11) . . . . ?
C12 C7 C8 C9 1.7(10) . . . . ?
C13 P1 C1 C2 41.6(5) . . . . ?
C13 P1 C1 C6 -142.2(4) . . . . ?
C13 P1 C7 C8 140.7(5) . . . . ?
C13 P1 C7 C12 -41.5(5) . . . . ?
C14 P2 C15 C16 57.9(6) . . . . ?
C14 P2 C15 C20 -121.7(4) . . . . ?
C14 P2 C21 C22 146.0(5) . . . . ?
C14 P2 C21 C26 -32.4(6) . . . . ?
C15 P2 C14 C13 179.6(4) . . . . ?
C15 P2 C21 C22 -98.3(5) . . . . ?
C15 P2 C21 C26 83.2(5) . . . . ?
C15 C16 C17 C18 -1.5(11) . . . . ?
C16 C15 C20 C19 2.5(9) . . . . ?
C16 C17 C18 C19 2.6(11) . . . . ?
C17 C18 C19 C20 -1.2(10) . . . . ?
C18 C19 C20 C15 -1.3(10) . . . . ?
C20 C15 C16 C17 -1.1(9) . . . . ?
C21 P2 C14 C13 -62.3(5) . . . . ?
C21 P2 C15 C16 -61.1(6) . . . . ?
C21 P2 C15 C20 119.4(5) . . . . ?
C21 C22 C23 C24 0.9(11) . . . . ?
C22 C21 C26 C25 -0.3(10) . . . . ?
C22 C23 C24 C25 -1.1(11) . . . . ?
C23 C24 C25 C26 0.7(11) . . . . ?
C24 C25 C26 C21 0.0(11) . . . . ?
C26 C21 C22 C23 -0.2(11) . . . . ?
C27 P3 O3 Dy1 -74.0(4) . . . . ?
C27 P3 C33 C34 -83.5(5) . . . . ?
C27 P3 C33 C38 92.7(5) . . . . ?
C27 P3 C39 C40 177.7(3) . . . . ?
C27 C28 C29 C30 -0.1(8) . . . . ?
C28 C27 C32 C31 -0.2(7) . . . . ?
C28 C29 C30 C31 -0.3(8) . . . . ?
C29 C30 C31 C32 0.4(8) . . . . ?
C30 C31 C32 C27 -0.2(8) . . . . ?
C32 C27 C28 C29 0.3(7) . . . . ?
C33 P3 O3 Dy1 166.5(4) . . . . ?
C33 P3 C27 C28 118.8(4) . . . . ?
C33 P3 C27 C32 -63.1(4) . . . . ?
C33 P3 C39 C40 -66.2(4) . . . . ?
C33 C34 C35 C36 1.5(13) . . . . ?
C34 C33 C38 C37 -1.5(10) . . . . ?
C34 C35 C36 C37 -1.9(14) . . . . ?
C35 C36 C37 C38 0.6(14) . . . . ?
C36 C37 C38 C33 1.1(12) . . . . ?
C38 C33 C34 C35 0.2(11) . . . . ?
C39 P3 O3 Dy1 42.7(5) . . . . ?
C39 P3 C27 C28 -123.2(4) . . . . ?
C39 P3 C27 C32 54.9(4) . . . . ?
C39 P3 C33 C34 163.4(5) . . . . ?
C39 P3 C33 C38 -20.4(5) . . . . ?
C40 P4 O4 Dy2 -48.5(4) . . . . ?
C40 P4 C41 C42 39.6(5) . . . . ?
C40 P4 C41 C46 -142.4(4) . . . . ?
C40 P4 C47 C48 -40.6(5) . . . . ?
C40 P4 C47 C52 141.2(4) . . . . ?
C41 P4 O4 Dy2 -168.8(3) . . . . ?
C41 P4 C40 C39 63.2(3) . . . . ?
C41 P4 C47 C48 76.8(5) . . . . ?
C41 P4 C47 C52 -101.4(4) . . . . ?
C41 C42 C43 C44 0.3(9) . . . . ?
C42 C41 C46 C45 0.9(8) . . . . ?
C42 C43 C44 C45 2.1(9) . . . . ?
C43 C44 C45 C46 -3.0(9) . . . . ?
C44 C45 C46 C41 1.5(9) . . . . ?
C46 C41 C42 C43 -1.8(8) . . . . ?
C47 P4 O4 Dy2 72.3(4) . . . . ?
C47 P4 C40 C39 180.0(3) . . . . ?
C47 P4 C41 C42 -76.7(4) . . . . ?
C47 P4 C41 C46 101.4(4) . . . . ?
C47 C48 C49 C50 0.1(9) . . . . ?
C48 C47 C52 C51 -1.1(8) . . . . ?
C48 C49 C50 C51 0.5(9) . . . . ?
C49 C50 C51 C52 -1.3(9) . . . . ?
C50 C51 C52 C47 1.6(8) . . . . ?
C52 C47 C48 C49 0.2(8) . . . . ?
