#------------------------------------------------------------------------------
#$Date: 2015-06-12 02:47:13 +0300 (Fri, 12 Jun 2015) $
#$Revision: 139092 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/32/4343293.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_4343293
loop_
_publ_author_name
'Moreno Pineda, Eufemio'
'Heesing, Christian'
'Tuna, Floriana'
'Zheng, Yan-Zhen'
'McInnes, Eric J. L.'
'Schnack, Jürgen'
'Winpenny, Richard E. P.'
_publ_section_title
;
 Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and
 {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              150610150327001
_journal_paper_doi               10.1021/acs.inorgchem.5b00649
_journal_year                    2015
_chemical_formula_moiety         'C99 H189 Cu3 Dy9 O55 P6, C8 H12 Cu1 N4'
_chemical_formula_sum            'C107 H201 Cu4 Dy9 N4 O55 P6'
_chemical_formula_weight         4326.18
_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_Hall           'R 3'
_space_group_name_H-M_alt        'R 3'
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2015-03-11
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   20.5394(4)
_cell_length_b                   20.5394(4)
_cell_length_c                   32.7197(7)
_cell_measurement_reflns_used    25876
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.3515
_cell_measurement_theta_min      1.6878
_cell_volume                     11954.1(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
  1 omega    2.20  182.15   0.2999   10.0000
omega____ theta____ kappa____ phi______ frames
    -       28.0000   73.8966  -25.8022 600

  2 omega    2.20  182.15   0.2999   10.0000
omega____ theta____ kappa____ phi______ frames
    -       28.0000   73.8966   94.1986 600

  3 omega    2.20  182.15   0.2999   10.0000
omega____ theta____ kappa____ phi______ frames
    -       28.0000   73.8966  214.1966 600
;
_diffrn_measurement_device_type
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0197929000
_diffrn_orient_matrix_UB_12      -0.0233668000
_diffrn_orient_matrix_UB_13      -0.0168175000
_diffrn_orient_matrix_UB_21      -0.0255294000
_diffrn_orient_matrix_UB_22      0.0137681000
_diffrn_orient_matrix_UB_23      0.0005143000
_diffrn_orient_matrix_UB_31      0.0234008000
_diffrn_orient_matrix_UB_32      0.0292241000
_diffrn_orient_matrix_UB_33      -0.0136617000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0591
_diffrn_reflns_av_unetI/netI     0.0727
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            31896
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.409
_diffrn_reflns_theta_min         1.691
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    4.818
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95042
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear blue'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             6333
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.326
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.170
_refine_ls_abs_structure_details
;
 Flack x determined using 4161 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.494(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     579
_refine_ls_number_reflns         10816
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0454
_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)+(0.0260P)²+143.5550P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0903
_reflns_Friedel_coverage         0.981
_reflns_friedel_fraction_full    0.987
_reflns_friedel_fraction_max     0.977
_reflns_number_gt                9517
_reflns_number_total             10816
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b00649_si_008.cif
_cod_data_source_block           Cu3Dy9P6
_cod_original_cell_volume        11954.1(6)
_cod_database_code               4343293
_shelxl_version_number           2014/6
_chemical_oxdiff_formula         Cu4Dy9P6N4O55C107H201
_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.
;
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C25) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: H4NA(0.33333) H4NB(0.33333) H4NC(0.33333)
4.a Idealised Me refined as rotating group:
 C2P(H2PA,H2PB,H2PC), C3(H3A,H3B,H3C), C3P(H3PA,H3PB,H3PC), C4(H4A,H4B,H4C),
 C4P(H4PA,H4PB,H4PC), C5(H5A,H5B,H5C), C6P(H6PA,H6PB,H6PC), C7P(H7PA,H7PB,H7PC),
  C8(H8A,H8B,H8C), C8P(H8PA,H8PB,H8PC), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C),
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C18(H18A,H18B,
 H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C23(H23A,H23B,H23C), C24(H24A,
 H24B,H24C), C25(H25A,H25B,H25C), C2N(H2NA,H2NB,H2NC), C4N(H4NA,H4NB,H4NC)
;
_olex2_submission_special_instructions 'No special instructions were received'
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'
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
Dy1 Dy 1.25782(4) 0.99897(4) 0.25359(2) 0.01427(15) Uani 1 1 d . . .
Dy2 Dy 1.03820(3) 0.91507(3) 0.25285(2) 0.01267(14) Uani 1 1 d . . .
Dy3 Dy 0.92907(4) 0.71193(4) 0.22983(2) 0.01504(15) Uani 1 1 d . . .
Cu1 Cu 1.12562(9) 0.81339(10) 0.27261(5) 0.0172(4) Uani 1 1 d . . .
P1 P 0.8714(2) 0.8155(2) 0.19024(11) 0.0158(8) Uani 1 1 d . . .
P2 P 0.9068(2) 0.8200(2) 0.30955(11) 0.0142(8) Uani 1 1 d . . .
O1 O 0.8319(6) 0.6331(5) 0.2701(3) 0.023(2) Uani 1 1 d . . .
O1OH O 1.1357(5) 0.9104(5) 0.2857(3) 0.018(2) Uani 1 1 d . . .
O1P O 0.9554(5) 0.8484(5) 0.1983(3) 0.018(2) Uani 1 1 d . . .
O2 O 1.3772(5) 1.0961(6) 0.2677(3) 0.021(2) Uani 1 1 d . . .
O2OH O 1.0543(5) 0.8108(5) 0.2308(3) 0.015(2) Uani 1 1 d . . .
O2P O 0.8294(5) 0.7350(5) 0.2065(3) 0.017(2) Uani 1 1 d . . .
O3 O 1.2876(6) 0.9369(6) 0.3020(3) 0.023(2) Uani 1 1 d . . .
O3OH O 1.0000 1.0000 0.2278(5) 0.012(3) Uani 1 3 d S T P
O3P O 0.8377(5) 0.8565(5) 0.2131(3) 0.015(2) Uani 1 1 d . . .
O4 O 1.1909(5) 0.8243(5) 0.3190(3) 0.024(2) Uani 1 1 d . . .
O4P O 0.9537(5) 0.7959(5) 0.2832(3) 0.013(2) Uani 1 1 d . . .
O5 O 1.3268(6) 0.9624(6) 0.2075(3) 0.022(2) Uani 1 1 d . . .
O5P O 0.8234(5) 0.7695(5) 0.3054(3) 0.018(2) Uani 1 1 d . . .
O6 O 1.2110(6) 0.8794(6) 0.2211(3) 0.021(2) Uani 1 1 d . . .
O6P O 0.9334(5) 0.9015(5) 0.2945(3) 0.012(2) Uani 1 1 d . . .
O7 O 1.1074(6) 0.7124(6) 0.2674(3) 0.028(3) Uani 1 1 d . . .
O8 O 0.9833(6) 0.6513(6) 0.2599(3) 0.025(2) Uani 1 1 d . . .
O9 O 0.9791(6) 0.7043(6) 0.1662(3) 0.028(3) Uani 1 1 d . . .
O10 O 0.8685(6) 0.6113(6) 0.1825(3) 0.028(3) Uani 1 1 d . . .
C1 C 1.4028(8) 1.1644(8) 0.2766(4) 0.018(3) Uani 1 1 d . . .
C1P C 0.8515(8) 0.8159(9) 0.1359(4) 0.021(3) Uani 1 1 d . . .
C2 C 1.4775(8) 1.2067(8) 0.2994(5) 0.026(4) Uani 1 1 d . . .
C2P C 0.8896(8) 0.8985(8) 0.1220(5) 0.022(4) Uani 1 1 d . . .
H2PA H 0.8742 0.9265 0.1400 0.034 Uiso 1 1 calc GR . .
H2PB H 0.8746 0.9009 0.0938 0.034 Uiso 1 1 calc GR . .
H2PC H 0.9443 0.9206 0.1233 0.034 Uiso 1 1 calc GR . .
C3 C 1.5294(10) 1.2717(11) 0.2711(6) 0.057(6) Uani 1 1 d . . .
H3A H 1.5437 1.2518 0.2477 0.085 Uiso 1 1 calc GR . .
H3B H 1.5746 1.3074 0.2861 0.085 Uiso 1 1 calc GR . .
H3C H 1.5029 1.2973 0.2613 0.085 Uiso 1 1 calc GR . .
C3P C 0.7672(8) 0.7805(9) 0.1304(4) 0.024(4) Uani 1 1 d . . .
H3PA H 0.7420 0.7303 0.1427 0.037 Uiso 1 1 calc GR . .
H3PB H 0.7553 0.7763 0.1012 0.037 Uiso 1 1 calc GR . .
H3PC H 0.7499 0.8118 0.1437 0.037 Uiso 1 1 calc GR . .
C4 C 1.4668(11) 1.2407(12) 0.3378(6) 0.052(6) Uani 1 1 d . . .
H4A H 1.4500 1.2762 0.3307 0.078 Uiso 1 1 calc GR . .
H4B H 1.5146 1.2671 0.3527 0.078 Uiso 1 1 calc GR . .
H4C H 1.4290 1.2007 0.3552 0.078 Uiso 1 1 calc GR . .
C4P C 0.8817(10) 0.7729(9) 0.1124(5) 0.029(4) Uani 1 1 d . . .
H4PA H 0.9361 0.7970 0.1166 0.044 Uiso 1 1 calc GR . .
H4PB H 0.8710 0.7731 0.0833 0.044 Uiso 1 1 calc GR . .
H4PC H 0.8574 0.7210 0.1224 0.044 Uiso 1 1 calc GR . .
C5 C 1.5110(12) 1.1600(11) 0.3084(8) 0.066(7) Uani 1 1 d . . .
H5A H 1.4784 1.1198 0.3273 0.099 Uiso 1 1 calc GR . .
H5B H 1.5605 1.1910 0.3210 0.099 Uiso 1 1 calc GR . .
H5C H 1.5165 1.1380 0.2830 0.099 Uiso 1 1 calc GR . .
C5P C 0.9327(8) 0.8177(8) 0.3628(4) 0.015(3) Uani 1 1 d . . .
C6 C 1.2533(9) 0.8836(8) 0.3262(5) 0.023(3) Uani 1 1 d . . .
C6P C 0.9086(9) 0.8625(9) 0.3895(4) 0.025(4) Uani 1 1 d . . .
H6PA H 0.9368 0.9156 0.3817 0.037 Uiso 1 1 calc GR . .
H6PB H 0.9187 0.8572 0.4182 0.037 Uiso 1 1 calc GR . .
H6PC H 0.8546 0.8434 0.3858 0.037 Uiso 1 1 calc GR . .
C7 C 1.2863(8) 0.8888(8) 0.3683(5) 0.021(3) Uani 1 1 d . . .
C7P C 0.8897(9) 0.7347(8) 0.3766(5) 0.025(4) Uani 1 1 d . . .
H7PA H 0.8355 0.7151 0.3741 0.037 Uiso 1 1 calc GR . .
H7PB H 0.9021 0.7312 0.4051 0.037 Uiso 1 1 calc GR . .
H7PC H 0.9043 0.7050 0.3593 0.037 Uiso 1 1 calc GR . .
C8 C 1.2351(9) 0.8993(10) 0.3989(5) 0.034(4) Uani 1 1 d . . .
H8A H 1.2323 0.9441 0.3915 0.052 Uiso 1 1 calc GR . .
H8B H 1.2558 0.9054 0.4265 0.052 Uiso 1 1 calc GR . .
H8C H 1.1846 0.8550 0.3982 0.052 Uiso 1 1 calc GR . .
C8P C 1.0165(8) 0.8488(9) 0.3666(4) 0.022(3) Uani 1 1 d . . .
H8PA H 1.0305 0.8156 0.3524 0.033 Uiso 1 1 calc GR . .
H8PB H 1.0300 0.8518 0.3956 0.033 Uiso 1 1 calc GR . .
H8PC H 1.0433 0.8991 0.3545 0.033 Uiso 1 1 calc GR . .
C9 C 1.3638(9) 0.9565(10) 0.3727(5) 0.035(4) Uani 1 1 d . . .
H9A H 1.3980 0.9528 0.3532 0.053 Uiso 1 1 calc GR . .
H9B H 1.3822 0.9584 0.4006 0.053 Uiso 1 1 calc GR . .
H9C H 1.3616 1.0023 0.3673 0.053 Uiso 1 1 calc GR . .
C10 C 1.2885(10) 0.8184(10) 0.3772(5) 0.038(4) Uani 1 1 d . . .
H10A H 1.2379 0.7748 0.3742 0.057 Uiso 1 1 calc GR . .
H10B H 1.3063 0.8203 0.4052 0.057 Uiso 1 1 calc GR . .
H10C H 1.3227 0.8141 0.3579 0.057 Uiso 1 1 calc GR . .
C11 C 1.2725(9) 0.8954(9) 0.2066(4) 0.020(3) Uani 1 1 d . . .
C12 C 1.2837(9) 0.8327(10) 0.1889(5) 0.029(4) Uani 1 1 d . . .
C13 C 1.2129(9) 0.7752(9) 0.1677(5) 0.034(4) Uani 1 1 d . . .
H13A H 1.1727 0.7498 0.1879 0.051 Uiso 1 1 calc GR . .
H13B H 1.2220 0.7380 0.1541 0.051 Uiso 1 1 calc GR . .
H13C H 1.1978 0.8002 0.1474 0.051 Uiso 1 1 calc GR . .
C14 C 1.3013(11) 0.7969(11) 0.2254(6) 0.045(5) Uani 1 1 d . . .
H14A H 1.3456 0.8356 0.2399 0.068 Uiso 1 1 calc GR . .
H14B H 1.3114 0.7578 0.2155 0.068 Uiso 1 1 calc GR . .
H14C H 1.2582 0.7746 0.2440 0.068 Uiso 1 1 calc GR . .
C15 C 1.3516(9) 0.8652(9) 0.1595(6) 0.036(5) Uani 1 1 d . . .
H15A H 1.3397 0.8843 0.1348 0.054 Uiso 1 1 calc GR . .
H15B H 1.3627 0.8256 0.1519 0.054 Uiso 1 1 calc GR . .
H15C H 1.3955 0.9063 0.1730 0.054 Uiso 1 1 calc GR . .
C16 C 1.0435(8) 0.6544(8) 0.2687(4) 0.019(3) Uani 1 1 d . . .
C17 C 1.0410(9) 0.5812(8) 0.2823(5) 0.028(4) Uani 1 1 d . . .
C18 C 0.9863(11) 0.5517(10) 0.3183(5) 0.041(5) Uani 1 1 d . . .
H18A H 1.0044 0.5896 0.3401 0.061 Uiso 1 1 calc GR . .
H18B H 0.9829 0.5054 0.3287 0.061 Uiso 1 1 calc GR . .
H18C H 0.9365 0.5413 0.3093 0.061 Uiso 1 1 calc GR . .
C19 C 1.0078(12) 0.5249(10) 0.2470(6) 0.045(5) Uani 1 1 d . . .
H19A H 0.9578 0.5169 0.2401 0.068 Uiso 1 1 calc GR . .
H19B H 1.0036 0.4771 0.2551 0.068 Uiso 1 1 calc GR . .
H19C H 1.0407 0.5449 0.2230 0.068 Uiso 1 1 calc GR . .
C20 C 1.1176(9) 0.5942(10) 0.2945(6) 0.041(5) Uani 1 1 d . . .
H20A H 1.1519 0.6144 0.2712 0.062 Uiso 1 1 calc GR . .
H20B H 1.1133 0.5466 0.3032 0.062 Uiso 1 1 calc GR . .
H20C H 1.1373 0.6303 0.3172 0.062 Uiso 1 1 calc GR . .
C21 C 0.9243(9) 0.6394(9) 0.1593(5) 0.026(4) Uani 1 1 d . . .
C22 C 0.9262(10) 0.5940(9) 0.1223(5) 0.038(4) Uani 1 1 d . . .
C23 C 0.8542(12) 0.5707(13) 0.0963(6) 0.063(7) Uani 1 1 d . . .
H23A H 0.8097 0.5454 0.1139 0.095 Uiso 1 1 calc GR . .
H23B H 0.8508 0.5363 0.0746 0.095 Uiso 1 1 calc GR . .
H23C H 0.8568 0.6156 0.0842 0.095 Uiso 1 1 calc GR . .
C24 C 0.9939(12) 0.6368(12) 0.0971(7) 0.071(8) Uani 1 1 d . . .
H24A H 0.9969 0.6836 0.0880 0.107 Uiso 1 1 calc GR . .
H24B H 0.9915 0.6068 0.0733 0.107 Uiso 1 1 calc GR . .
H24C H 1.0386 0.6486 0.1134 0.107 Uiso 1 1 calc GR . .
C25 C 0.9174(15) 0.5214(12) 0.1396(7) 0.071(7) Uani 1 1 d . U .
H25A H 0.9656 0.5309 0.1509 0.107 Uiso 1 1 calc GR . .
H25B H 0.9018 0.4838 0.1178 0.107 Uiso 1 1 calc GR . .
H25C H 0.8793 0.5027 0.1612 0.107 Uiso 1 1 calc GR . .
Cu2 Cu 0.6667 0.3333 0.13262(11) 0.0290(8) Uani 1 3 d S T P
N1 N 0.7556(8) 0.3277(8) 0.1522(4) 0.037(4) Uani 1 1 d . . .
N2 N 0.6667 0.3333 0.0714(9) 0.039(7) Uani 1 3 d S T P
C1N C 0.8054(10) 0.3231(10) 0.1611(5) 0.031(4) Uani 1 1 d . . .
C2N C 0.8704(10) 0.3163(11) 0.1746(5) 0.040(5) Uani 1 1 d . . .
H2NA H 0.9136 0.3468 0.1569 0.060 Uiso 1 1 calc GR . .
H2NB H 0.8576 0.2635 0.1731 0.060 Uiso 1 1 calc GR . .
H2NC H 0.8832 0.3339 0.2029 0.060 Uiso 1 1 calc GR . .
C3N C 0.6667 0.3333 0.0358(10) 0.032(7) Uani 1 3 d S T P
C4N C 0.6667 0.3333 -0.0077(10) 0.056(10) Uani 1 3 d S T P
H4NA H 0.6937 0.3085 -0.0176 0.084 Uiso 0.3333 1 calc GR . .
H4NB H 0.6915 0.3853 -0.0176 0.084 Uiso 0.3333 1 calc GR . .
H4NC H 0.6147 0.3063 -0.0176 0.084 Uiso 0.3333 1 calc GR . .
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Cu1 Dy1 Dy2 54.73(3) . .
P1 Dy1 Dy2 59.83(7) 2_765 .
P1 Dy1 Cu1 105.85(8) 2_765 .
O1OH Dy1 Dy2 33.3(2) . .
O1OH Dy1 Cu1 33.4(2) . .
O1OH Dy1 P1 93.2(2) . 2_765
O1OH Dy1 O3P 66.1(3) . 2_765
O1OH Dy1 C11 97.5(4) . .
O2 Dy1 Dy2 150.3(2) . .
O2 Dy1 Cu1 145.9(2) . .
O2 Dy1 P1 108.3(3) . 2_765
O2 Dy1 O1OH 143.0(3) . .
O2 Dy1 O2P 79.7(3) . 2_765
O2 Dy1 O3P 136.9(3) . 2_765
O2 Dy1 O5 81.9(3) . .
O2 Dy1 O6 133.2(3) . .
O2 Dy1 C11 107.4(4) . .
O2P Dy1 Dy2 86.8(2) 2_765 .
O2P Dy1 Cu1 134.3(2) 2_765 .
O2P Dy1 P1 28.8(2) 2_765 2_765
O2P Dy1 O1OH 119.3(3) 2_765 .
O2P Dy1 O3P 58.0(3) 2_765 2_765
O2P Dy1 C11 106.3(4) 2_765 .
O3 Dy1 Dy2 109.0(3) . .
O3 Dy1 Cu1 62.9(3) . .
O3 Dy1 P1 168.4(3) . 2_765
O3 Dy1 O1OH 75.7(3) . .
O3 Dy1 O2 83.1(4) . .
O3 Dy1 O2P 162.7(3) . 2_765
O3 Dy1 O3P 139.2(3) . 2_765
O3 Dy1 O5 84.1(3) . .
O3 Dy1 O6 79.5(3) . .
O3 Dy1 C11 78.2(4) . .
O3P Dy1 Dy2 33.5(2) 2_765 .
O3P Dy1 Cu1 77.1(2) 2_765 .
O3P Dy1 P1 29.2(2) 2_765 2_765
O3P Dy1 C11 92.7(4) 2_765 .
O5 Dy1 Dy2 125.3(2) . .
O5 Dy1 Cu1 91.6(3) . .
O5 Dy1 P1 99.8(2) . 2_765
O5 Dy1 O1OH 124.7(3) . .
O5 Dy1 O2P 92.6(3) . 2_765
O5 Dy1 O3P 105.7(3) . 2_765
O5 Dy1 C11 27.3(4) . .
O5P Dy1 Dy2 73.0(2) 2_765 .
O5P Dy1 Cu1 99.3(2) 2_765 .
O5P Dy1 P1 91.4(2) 2_765 2_765
O5P Dy1 O1OH 68.6(3) 2_765 .
O5P Dy1 O2 80.8(3) 2_765 .
O5P Dy1 O2P 90.2(3) 2_765 2_765
O5P Dy1 O3 87.8(3) 2_765 .
O5P Dy1 O3P 91.2(3) 2_765 2_765
O5P Dy1 O5 161.7(3) 2_765 .
O5P Dy1 O6 140.7(3) 2_765 .
O5P Dy1 C11 162.5(4) 2_765 .
O6 Dy1 Dy2 76.4(2) . .
O6 Dy1 Cu1 42.0(2) . .
O6 Dy1 P1 93.9(2) . 2_765
O6 Dy1 O1OH 72.3(3) . .
O6 Dy1 O2P 112.1(3) . 2_765
O6 Dy1 O3P 75.8(3) . 2_765
O6 Dy1 O5 53.4(3) . .
O6 Dy1 C11 26.4(4) . .
C11 Dy1 Dy2 101.6(3) . .
C11 Dy1 Cu1 65.1(3) . .
C11 Dy1 P1 100.2(3) . 2_765
Dy3 Dy2 Dy2 99.69(3) . 3_675
Cu1 Dy2 Dy2 157.23(4) . 3_675
Cu1 Dy2 Dy3 63.72(3) . .
P2 Dy2 Dy2 64.29(7) . 3_675
P2 Dy2 Dy3 63.73(7) . .
P2 Dy2 Cu1 93.49(7) . .
O1OH Dy2 Dy2 150.7(2) . 3_675
O1OH Dy2 Dy3 95.6(2) . .
O1OH Dy2 Cu1 32.9(3) . .
O1OH Dy2 P2 101.4(2) . .
O1OH Dy2 O1P 135.3(3) . .
O1OH Dy2 O2OH 66.5(3) . .
O1OH Dy2 O3OH 142.8(3) . .
O1OH Dy2 O4P 88.0(3) . .
O1OH Dy2 O6P 117.8(3) . .
O1OH Dy2 O6P 76.2(3) . 2_765
O1P Dy2 Dy2 71.8(2) . 3_675
O1P Dy2 Dy3 48.6(2) . .
O1P Dy2 Cu1 103.5(2) . .
O1P Dy2 P2 86.5(2) . .
O1P Dy2 O2OH 69.1(3) . .
O1P Dy2 O3OH 76.2(4) . .
O1P Dy2 O4P 77.2(3) . .
O1P Dy2 O6P 91.0(3) . .
O1P Dy2 O6P 146.9(3) . 2_765
O2OH Dy2 Dy2 136.5(2) . 3_675
O2OH Dy2 Dy3 38.6(2) . .
O2OH Dy2 Cu1 34.6(2) . .
O2OH Dy2 P2 94.8(2) . .
O2OH Dy2 O6P 124.4(3) . .
O2OH Dy2 O6P 142.2(3) . 2_765
O3OH Dy2 Dy2 35.56(18) . 3_675
O3OH Dy2 Dy3 121.33(17) . .
O3OH Dy2 Cu1 166.8(2) . .
O3OH Dy2 P2 99.6(2) . .
O3OH Dy2 O2OH 141.3(4) . .
O3OH Dy2 O4P 123.6(2) . .
O3OH Dy2 O6P 71.4(3) . .
O3OH Dy2 O6P 70.7(3) . 2_765
O3P Dy2 Dy2 121.4(2) 2_765 3_675
O3P Dy2 Dy3 114.4(2) 2_765 .
O3P Dy2 Cu1 80.9(2) 2_765 .
O3P Dy2 P2 174.2(2) 2_765 .
O3P Dy2 O1OH 73.1(3) 2_765 .
O3P Dy2 O1P 96.1(3) 2_765 .
O3P Dy2 O2OH 81.4(3) 2_765 .
O3P Dy2 O3OH 86.0(3) 2_765 .
O3P Dy2 O4P 145.7(3) 2_765 .
O3P Dy2 O6P 154.0(3) 2_765 .
O3P Dy2 O6P 82.7(3) 2_765 2_765
O4P Dy2 Dy2 88.9(2) . 3_675
O4P Dy2 Dy3 37.8(2) . .
O4P Dy2 Cu1 68.4(2) . .
O4P Dy2 P2 30.1(2) . .
O4P Dy2 O2OH 64.6(3) . .
O4P Dy2 O6P 121.0(3) . 2_765
O4P Dy2 O6P 60.3(3) . .
O6P Dy2 Dy2 80.6(2) 2_765 3_675
O6P Dy2 Dy2 38.4(2) . 3_675
O6P Dy2 Dy3 89.0(2) . .
O6P Dy2 Dy3 158.4(2) 2_765 .
O6P Dy2 Cu1 121.7(2) . .
O6P Dy2 Cu1 108.9(2) 2_765 .
O6P Dy2 P2 98.0(2) 2_765 .
O6P Dy2 P2 30.6(2) . .
O6P Dy2 O6P 77.8(4) . 2_765
P1 Dy3 Dy2 63.03(7) . .
O1 Dy3 Dy2 120.7(3) . .
O1 Dy3 P1 103.0(3) . .
O1 Dy3 O1P 126.6(3) . .
O1 Dy3 O2OH 143.5(4) . .
O1 Dy3 O2P 78.2(4) . .
O1 Dy3 O4P 83.1(3) . .
O1 Dy3 O8 81.6(4) . .
O1 Dy3 O9 136.4(4) . .
O1 Dy3 O10 82.3(4) . .
O1 Dy3 C21 109.0(4) . .
O1P Dy3 Dy2 39.90(19) . .
O1P Dy3 P1 28.7(2) . .
O2OH Dy3 Dy2 40.3(2) . .
O2OH Dy3 P1 92.3(2) . .
O2OH Dy3 O1P 63.6(3) . .
O2OH Dy3 O2P 119.9(3) . .
O2OH Dy3 O9 75.2(3) . .
O2OH Dy3 O10 129.2(3) . .
O2OH Dy3 C21 102.1(4) . .
O2P Dy3 Dy2 86.5(2) . .
O2P Dy3 P1 27.7(2) . .
O2P Dy3 O1P 56.4(3) . .
O2P Dy3 C21 92.1(4) . .
O4P Dy3 Dy2 39.2(2) . .
O4P Dy3 P1 79.9(2) . .
O4P Dy3 O1P 70.7(3) . .
O4P Dy3 O2OH 67.0(3) . .
O4P Dy3 O2P 89.1(3) . .
O4P Dy3 O9 140.4(3) . .
O4P Dy3 O10 163.7(3) . .
O4P Dy3 C21 167.8(4) . .
O8 Dy3 Dy2 110.1(3) . .
O8 Dy3 P1 173.0(3) . .
O8 Dy3 O1P 144.5(3) . .
O8 Dy3 O2OH 80.9(3) . .
O8 Dy3 O2P 158.6(3) . .
O8 Dy3 O4P 95.6(4) . .
O8 Dy3 O9 89.8(4) . .
O8 Dy3 O10 89.6(4) . .
O8 Dy3 C21 87.7(4) . .
O9 Dy3 Dy2 102.5(3) . .
O9 Dy3 P1 90.3(3) . .
O9 Dy3 O1P 82.4(3) . .
O9 Dy3 O2P 99.9(3) . .
O9 Dy3 O10 54.8(4) . .
O9 Dy3 C21 27.6(4) . .
O10 Dy3 Dy2 150.8(3) . .
O10 Dy3 P1 96.2(3) . .
O10 Dy3 O1P 112.9(3) . .
O10 Dy3 O2P 80.8(3) . .
O10 Dy3 C21 27.3(4) . .
C21 Dy3 Dy2 128.8(4) . .
C21 Dy3 P1 95.6(3) . .
C21 Dy3 O1P 100.0(4) . .
Dy2 Cu1 Dy1 69.89(4) . .
O1OH Cu1 Dy1 44.6(3) . .
O1OH Cu1 Dy2 40.3(3) . .
O1OH Cu1 O2OH 83.0(4) . .
O1OH Cu1 O4 89.8(4) . .
O1OH Cu1 O6 84.2(4) . .
O2OH Cu1 Dy1 93.9(3) . .
O2OH Cu1 Dy2 44.1(3) . .
O2OH Cu1 O6 81.2(4) . .
O4 Cu1 Dy1 84.1(3) . .
O4 Cu1 Dy2 127.8(3) . .
O4 Cu1 O2OH 171.4(4) . .
O4 Cu1 O6 102.8(4) . .
O6 Cu1 Dy1 43.7(2) . .
O6 Cu1 Dy2 88.9(2) . .
O7 Cu1 Dy1 142.7(3) . .
O7 Cu1 Dy2 139.6(3) . .
O7 Cu1 O1OH 171.3(5) . .
O7 Cu1 O2OH 99.6(4) . .
O7 Cu1 O4 86.9(4) . .
O7 Cu1 O6 104.4(4) . .
Dy1 P1 Dy3 85.56(9) 3_675 .
O1P P1 Dy1 127.2(4) . 3_675
O1P P1 Dy3 60.6(4) . .
O1P P1 C1P 111.9(6) . .
O2P P1 Dy1 50.3(4) . 3_675
O2P P1 Dy3 48.1(4) . .
O2P P1 O1P 108.6(6) . .
O2P P1 C1P 109.7(6) . .
O3P P1 Dy1 54.8(4) . 3_675
O3P P1 Dy3 126.3(4) . .
O3P P1 O1P 113.2(5) . .
O3P P1 O2P 105.1(6) . .
O3P P1 C1P 108.1(6) . .
C1P P1 Dy1 120.7(5) . 3_675
C1P P1 Dy3 124.0(5) . .
O4P P2 Dy2 51.0(3) . .
O4P P2 O6P 103.2(5) . .
O4P P2 C5P 106.6(6) . .
O5P P2 Dy2 136.7(4) . .
O5P P2 O4P 114.0(5) . .
O5P P2 O6P 112.3(5) . .
O5P P2 C5P 108.3(6) . .
O6P P2 Dy2 52.9(3) . .
O6P P2 C5P 112.3(6) . .
C5P P2 Dy2 114.9(5) . .
C1 O1 Dy3 148.8(10) 3_675 .
Dy2 O1OH Dy1 110.6(4) . .
Cu1 O1OH Dy1 102.0(4) . .
Cu1 O1OH Dy2 106.8(4) . .
Dy2 O1P Dy3 91.5(3) . .
P1 O1P Dy2 135.3(5) . .
P1 O1P Dy3 90.6(4) . .
C1 O2 Dy1 132.9(9) . .
Dy3 O2OH Dy2 101.1(3) . .
Cu1 O2OH Dy2 101.3(4) . .
Cu1 O2OH Dy3 120.5(4) . .
Dy1 O2P Dy3 122.2(4) 3_675 .
P1 O2P Dy1 100.9(5) . 3_675
P1 O2P Dy3 104.1(5) . .
C6 O3 Dy1 137.4(10) . .
Dy2 O3OH Dy2 108.9(4) 2_765 3_675
Dy2 O3OH Dy2 108.9(4) . 3_675
Dy2 O3OH Dy2 108.9(4) . 2_765
Dy2 O3P Dy1 108.5(4) 3_675 3_675
P1 O3P Dy1 96.0(5) . 3_675
P1 O3P Dy2 139.0(6) . 3_675
C6 O4 Cu1 123.8(10) . .
Dy3 O4P Dy2 103.0(3) . .
P2 O4P Dy2 98.8(4) . .
P2 O4P Dy3 135.8(5) . .
C11 O5 Dy1 91.1(9) . .
P2 O5P Dy1 133.9(6) . 3_675
Cu1 O6 Dy1 94.3(4) . .
C11 O6 Dy1 93.8(9) . .
C11 O6 Cu1 144.3(10) . .
Dy2 O6P Dy2 104.0(3) . 3_675
P2 O6P Dy2 96.5(4) . .
P2 O6P Dy2 135.1(5) . 3_675
C16 O7 Cu1 124.5(10) . .
C16 O8 Dy3 145.5(10) . .
C21 O9 Dy3 92.3(9) . .
C21 O10 Dy3 91.9(9) . .
O1 C1 C2 117.6(12) 2_765 .
O2 C1 O1 123.0(13) . 2_765
O2 C1 C2 119.2(12) . .
C2P C1P P1 107.5(10) . .
C3P C1P P1 108.5(10) . .
C3P C1P C2P 109.0(12) . .
C3P C1P C4P 111.2(13) . .
C4P C1P P1 109.4(10) . .
C4P C1P C2P 111.1(12) . .
C1 C2 C3 105.2(14) . .
C4 C2 C1 109.6(13) . .
C4 C2 C3 107.5(15) . .
C5 C2 C1 113.1(13) . .
C5 C2 C3 110.0(16) . .
C5 C2 C4 111.1(17) . .
C6P C5P P2 110.1(9) . .
C6P C5P C7P 108.7(12) . .
C7P C5P P2 107.2(10) . .
C8P C5P P2 110.7(10) . .
C8P C5P C6P 110.0(12) . .
C8P C5P C7P 110.1(12) . .
O3 C6 O4 125.4(15) . .
O3 C6 C7 118.7(14) . .
O4 C6 C7 115.9(13) . .
C6 C7 C8 106.7(12) . .
C9 C7 C6 112.3(13) . .
C9 C7 C8 106.8(13) . .
C10 C7 C6 109.6(13) . .
C10 C7 C8 111.2(14) . .
C10 C7 C9 110.1(13) . .
O5 C11 Dy1 61.6(8) . .
O5 C11 C12 120.1(13) . .
O6 C11 Dy1 59.8(8) . .
O6 C11 O5 120.6(14) . .
O6 C11 C12 119.2(14) . .
C12 C11 Dy1 168.3(10) . .
C11 C12 C14 106.2(13) . .
C11 C12 C15 110.9(14) . .
C13 C12 C11 109.9(13) . .
C13 C12 C14 110.3(15) . .
C13 C12 C15 111.2(14) . .
C14 C12 C15 108.2(14) . .
O7 C16 C17 116.3(13) . .
O8 C16 O7 125.6(14) . .
O8 C16 C17 118.0(13) . .
C18 C17 C16 105.6(13) . .
C18 C17 C19 108.7(14) . .
C19 C17 C16 107.6(14) . .
C20 C17 C16 112.2(13) . .
C20 C17 C18 111.1(15) . .
C20 C17 C19 111.3(15) . .
O9 C21 Dy3 60.1(7) . .
O9 C21 C22 120.0(14) . .
O10 C21 Dy3 60.8(8) . .
O10 C21 O9 120.5(14) . .
O10 C21 C22 119.5(15) . .
C22 C21 Dy3 173.1(12) . .
C21 C22 C23 107.9(15) . .
C24 C22 C21 112.4(15) . .
C24 C22 C23 110.3(18) . .
C24 C22 C25 114.0(19) . .
C25 C22 C21 106.0(15) . .
C25 C22 C23 105.8(17) . .
N1 Cu2 N1 110.2(4) 3_665 2_655
N1 Cu2 N1 110.2(4) . 2_655
N1 Cu2 N1 110.2(4) . 3_665
N1 Cu2 N2 108.7(4) . .
N1 Cu2 N2 108.7(4) 2_655 .
N1 Cu2 N2 108.7(4) 3_665 .
C1N N1 Cu2 176.4(16) . .
C3N N2 Cu2 180.0 . .
N1 C1N C2N 177.8(19) . .
N2 C3N C4N 180.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy2 3.9428(9) .
Dy1 Cu1 3.4553(18) .
Dy1 P1 3.113(4) 2_765
Dy1 O1OH 2.479(9) .
Dy1 O2 2.305(10) .
Dy1 O2P 2.440(10) 2_765
Dy1 O3 2.298(10) .
Dy1 O3P 2.558(9) 2_765
Dy1 O5 2.430(10) .
Dy1 O5P 2.257(9) 2_765
Dy1 O6 2.393(10) .
Dy1 C11 2.762(15) .
Dy2 Dy2 3.8835(11) 3_675
Dy2 Dy3 3.6943(9) .
Dy2 Cu1 3.4283(18) .
Dy2 P2 3.044(4) .
Dy2 O1OH 2.316(9) .
Dy2 O1P 2.370(9) .
Dy2 O2OH 2.433(9) .
Dy2 O3OH 2.387(5) .
Dy2 O3P 2.297(10) 2_765
Dy2 O4P 2.396(9) .
Dy2 O6P 2.486(9) 2_765
Dy2 O6P 2.444(9) .
Dy3 P1 3.183(4) .
Dy3 O1 2.260(10) .
Dy3 O1P 2.774(10) .
Dy3 O2OH 2.349(9) .
Dy3 O2P 2.444(10) .
Dy3 O4P 2.326(9) .
Dy3 O8 2.268(10) .
Dy3 O9 2.362(10) .
Dy3 O10 2.377(10) .
Dy3 C21 2.722(15) .
Cu1 O1OH 1.946(10) .
Cu1 O2OH 1.985(10) .
Cu1 O4 1.962(10) .
Cu1 O6 2.319(10) .
Cu1 O7 1.923(10) .
P1 Dy1 3.113(4) 3_675
P1 O1P 1.530(10) .
P1 O2P 1.528(10) .
P1 O3P 1.526(10) .
P1 C1P 1.826(14) .
P2 O4P 1.547(9) .
P2 O5P 1.502(10) .
P2 O6P 1.558(10) .
P2 C5P 1.828(14) .
O1 C1 1.270(16) 3_675
O2 C1 1.262(17) .
O2P Dy1 2.440(10) 3_675
O3 C6 1.246(17) .
O3OH Dy2 2.387(5) 2_765
O3OH Dy2 2.387(5) 3_675
O3P Dy1 2.558(9) 3_675
O3P Dy2 2.297(9) 3_675
O4 C6 1.273(18) .
O5 C11 1.267(18) .
O5P Dy1 2.257(9) 3_675
O6 C11 1.230(17) .
O6P Dy2 2.486(9) 3_675
O7 C16 1.257(17) .
O8 C16 1.240(17) .
O9 C21 1.262(18) .
O10 C21 1.250(18) .
C1 O1 1.270(16) 2_765
C1 C2 1.53(2) .
C1P C2P 1.54(2) .
C1P C3P 1.51(2) .
C1P C4P 1.52(2) .
C2 C3 1.53(2) .
C2 C4 1.50(2) .
C2 C5 1.46(2) .
C5P C6P 1.522(19) .
C5P C7P 1.54(2) .
C5P C8P 1.511(19) .
C6 C7 1.52(2) .
C7 C8 1.54(2) .
C7 C9 1.51(2) .
C7 C10 1.50(2) .
C11 C12 1.53(2) .
C12 C13 1.51(2) .
C12 C14 1.54(2) .
C12 C15 1.54(2) .
C16 C17 1.54(2) .
C17 C18 1.53(2) .
C17 C19 1.53(2) .
C17 C20 1.51(2) .
C21 C22 1.54(2) .
C22 C23 1.56(3) .
C22 C24 1.47(2) .
C22 C25 1.52(3) .
Cu2 N1 1.994(15) 2_655
Cu2 N1 1.994(15) .
Cu2 N1 1.994(15) 3_665
Cu2 N2 2.00(3) .
N1 C1N 1.11(2) .
N2 C3N 1.17(4) .
C1N C2N 1.48(2) .
C3N C4N 1.42(4) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Dy1 P1 O1P Dy2 -35.4(10) 3_675 .
Dy1 P1 O1P Dy3 57.4(4) 3_675 .
Dy1 P1 O2P Dy3 -127.5(5) 3_675 .
Dy1 P1 O3P Dy2 127.4(9) 3_675 3_675
Dy1 P1 C1P C2P 120.6(9) 3_675 .
Dy1 P1 C1P C3P 2.8(13) 3_675 .
Dy1 P1 C1P C4P -118.6(10) 3_675 .
Dy1 O2 C1 O1 -18(2) . 2_765
Dy1 O2 C1 C2 157.1(10) . .
Dy1 O3 C6 O4 37(2) . .
Dy1 O3 C6 C7 -141.8(11) . .
Dy1 O5 C11 O6 10.6(14) . .
Dy1 O5 C11 C12 -166.7(12) . .
Dy1 O6 C11 O5 -10.8(14) . .
Dy1 O6 C11 C12 166.6(12) . .
Dy1 C11 C12 C13 119(5) . .
Dy1 C11 C12 C14 0(6) . .
Dy1 C11 C12 C15 -118(5) . .
Dy2 P2 O4P Dy3 -119.0(8) . .
Dy2 P2 O5P Dy1 -7.7(11) . 3_675
Dy2 P2 O6P Dy2 117.3(8) . 3_675
Dy2 P2 C5P C6P 108.5(10) . .
Dy2 P2 C5P C7P -133.5(8) . .
Dy2 P2 C5P C8P -13.4(11) . .
Dy3 P1 O1P Dy2 -92.7(7) . .
Dy3 P1 O2P Dy1 127.5(5) . 3_675
Dy3 P1 O3P Dy1 -50.5(5) . 3_675
Dy3 P1 O3P Dy2 76.8(9) . 3_675
Dy3 P1 C1P C2P -132.5(9) . .
Dy3 P1 C1P C3P 109.8(10) . .
Dy3 P1 C1P C4P -11.6(13) . .
Dy3 O8 C16 O7 13(3) . .
Dy3 O8 C16 C17 -166.1(13) . .
Dy3 O9 C21 O10 7.5(16) . .
Dy3 O9 C21 C22 -172.0(14) . .
Dy3 O10 C21 O9 -7.4(16) . .
Dy3 O10 C21 C22 172.1(14) . .
Cu1 O4 C6 O3 -13(2) . .
Cu1 O4 C6 C7 165.5(9) . .
Cu1 O6 C11 Dy1 -102.8(16) . .
Cu1 O6 C11 O5 -113.6(17) . .
Cu1 O6 C11 C12 64(2) . .
Cu1 O7 C16 O8 26(2) . .
Cu1 O7 C16 C17 -154.6(10) . .
O1 C1 C2 C3 -64.9(18) 2_765 .
O1 C1 C2 C4 50.4(19) 2_765 .
O1 C1 C2 C5 175.0(17) 2_765 .
O1P P1 O2P Dy1 123.4(5) . 3_675
O1P P1 O2P Dy3 -4.1(6) . .
O1P P1 O3P Dy1 -120.2(5) . 3_675
O1P P1 O3P Dy2 7.2(11) . 3_675
O1P P1 C1P C2P -64.0(11) . .
O1P P1 C1P C3P 178.3(10) . .
O1P P1 C1P C4P 56.8(12) . .
O2 C1 C2 C3 120.0(16) . .
O2 C1 C2 C4 -124.7(16) . .
O2 C1 C2 C5 0(2) . .
O2P P1 O1P Dy2 -89.2(8) . .
O2P P1 O1P Dy3 3.5(5) . .
O2P P1 O3P Dy1 -1.8(5) . 3_675
O2P P1 O3P Dy2 125.6(8) . 3_675
O2P P1 C1P C2P 175.4(9) . .
O2P P1 C1P C3P 57.7(12) . .
O2P P1 C1P C4P -63.8(12) . .
O3 C6 C7 C8 109.2(15) . .
O3 C6 C7 C9 -7.5(19) . .
O3 C6 C7 C10 -130.2(15) . .
O3P P1 O1P Dy2 27.1(10) . .
O3P P1 O1P Dy3 119.9(5) . .
O3P P1 O2P Dy1 1.9(6) . 3_675
O3P P1 O2P Dy3 -125.6(5) . .
O3P P1 C1P C2P 61.3(11) . .
O3P P1 C1P C3P -56.4(12) . .
O3P P1 C1P C4P -177.9(10) . .
O4 C6 C7 C8 -69.5(16) . .
O4 C6 C7 C9 173.8(13) . .
O4 C6 C7 C10 51.1(17) . .
O4P P2 O5P Dy1 -65.6(9) . 3_675
O4P P2 O6P Dy2 -9.3(5) . .
O4P P2 O6P Dy2 108.0(7) . 3_675
O4P P2 C5P C6P 162.7(10) . .
O4P P2 C5P C7P -79.3(10) . .
O4P P2 C5P C8P 40.8(11) . .
O5 C11 C12 C13 -145.9(14) . .
O5 C11 C12 C14 94.8(17) . .
O5 C11 C12 C15 -23(2) . .
O5P P2 O4P Dy2 131.6(5) . .
O5P P2 O4P Dy3 12.6(10) . .
O5P P2 O6P Dy2 -132.5(5) . .
O5P P2 O6P Dy2 -15.2(9) . 3_675
O5P P2 C5P C6P -74.2(11) . .
O5P P2 C5P C7P 43.8(10) . .
O5P P2 C5P C8P 163.9(9) . .
O6 C11 C12 C13 37(2) . .
O6 C11 C12 C14 -82.5(17) . .
O6 C11 C12 C15 160.1(14) . .
O6P P2 O4P Dy2 9.6(5) . .
O6P P2 O4P Dy3 -109.5(7) . .
O6P P2 O5P Dy1 51.3(9) . 3_675
O6P P2 C5P C6P 50.4(12) . .
O6P P2 C5P C7P 168.4(9) . .
O6P P2 C5P C8P -71.5(11) . .
O7 C16 C17 C18 125.1(15) . .
O7 C16 C17 C19 -119.0(15) . .
O7 C16 C17 C20 4(2) . .
O8 C16 C17 C18 -55.4(18) . .
O8 C16 C17 C19 60.6(18) . .
O8 C16 C17 C20 -176.6(15) . .
O9 C21 C22 C23 -125.3(17) . .
O9 C21 C22 C24 -3(3) . .
O9 C21 C22 C25 121.7(18) . .
O10 C21 C22 C23 55(2) . .
O10 C21 C22 C24 177.1(18) . .
O10 C21 C22 C25 -58(2) . .
C1P P1 O1P Dy2 149.6(8) . .
C1P P1 O1P Dy3 -117.7(6) . .
C1P P1 O2P Dy1 -114.1(6) . 3_675
C1P P1 O2P Dy3 118.4(6) . .
C1P P1 O3P Dy1 115.3(6) . 3_675
C1P P1 O3P Dy2 -117.4(9) . 3_675
C5P P2 O4P Dy2 -108.9(6) . .
C5P P2 O4P Dy3 132.1(8) . .
C5P P2 O5P Dy1 175.9(7) . 3_675
C5P P2 O6P Dy2 105.1(5) . .
C5P P2 O6P Dy2 -137.6(7) . 3_675
