#------------------------------------------------------------------------------
#$Date: 2015-06-12 02:15:49 +0300 (Fri, 12 Jun 2015) $
#$Revision: 139086 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/32/4343287.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_4343287
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         'C78 H156 Cu6 Dy6 N6 O48 P6, 2(C3 H9 N)'
_chemical_formula_sum            'C84 H174 Cu6 Dy6 N8 O48 P6'
_chemical_formula_weight         3606.36
_space_group_crystal_system      orthorhombic
_space_group_IT_number           70
_space_group_name_Hall           '-F 2uv 2vw'
_space_group_name_H-M_alt        'F d d d'
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_atom_sites_solution_hydrogens   mixed
_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                90
_cell_formula_units_Z            16
_cell_length_a                   35.7157(6)
_cell_length_b                   39.2480(5)
_cell_length_c                   45.7355(7)
_cell_measurement_reflns_used    19994
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      29.0090
_cell_measurement_theta_min      3.0690
_cell_volume                     64110.6(17)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_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      150.0(2)
_diffrn_detector_area_resol_mean 10.3705
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega   35.00  100.80   0.7000   60.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6555  178.0000   90.0000 94

  2 omega   21.00   48.30   0.7000   60.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6555  -99.0000  -60.0000 39

  3 omega  -64.00   37.50   0.7000   60.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6555  -37.0000 -120.0000 145
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0182227000
_diffrn_orient_matrix_UB_12      -0.0003888000
_diffrn_orient_matrix_UB_13      -0.0061655000
_diffrn_orient_matrix_UB_21      0.0038195500
_diffrn_orient_matrix_UB_22      -0.0162399500
_diffrn_orient_matrix_UB_23      -0.0061224000
_diffrn_orient_matrix_UB_31      -0.0069124000
_diffrn_orient_matrix_UB_32      -0.0079269500
_diffrn_orient_matrix_UB_33      0.0128425500
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0707
_diffrn_reflns_av_unetI/netI     0.0792
_diffrn_reflns_laue_measured_fraction_full 0.998
_diffrn_reflns_laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       57
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            76702
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.776
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.662
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76782
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
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    1.495
_exptl_crystal_description       trapezoid
_exptl_crystal_F_000             28448
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.766
_refine_diff_density_min         -1.372
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     776
_refine_ls_number_reflns         16380
_refine_ls_number_restraints     378
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0912
_refine_ls_R_factor_gt           0.0553
_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)+(0.0619P)²+842.2302P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1323
_refine_ls_wR_factor_ref         0.1552
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11250
_reflns_number_total             16380
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b00649_si_004.cif
_cod_data_source_block           Cu6Dy6P6
_cod_original_cell_volume        64110.7(17)
_cod_database_code               4343287
_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 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C19A-C17 = C17-C18A
 1.52 with sigma of 0.02
 C18A-C17 = C17-C20A
 1.52 with sigma of 0.02
 C20A-C17 = C17-C19A
 1.52 with sigma of 0.02
 C14A-C12 = C12-C13A
 1.52 with sigma of 0.02
 C13A-C12 = C12-C15A
 1.52 with sigma of 0.02
 C15A-C12 = C12-C14A
 1.52 with sigma of 0.02
 C25A-C22A = C22A-C23A
 1.52 with sigma of 0.02
 C23A-C22A = C22A-C24A
 1.52 with sigma of 0.02
 C24A-C22A = C22A-C25A
 1.52 with sigma of 0.02
 C25-C22 = C22-C23
 1.52 with sigma of 0.02
 C23-C22 = C22-C24
 1.52 with sigma of 0.02
 C24-C22 = C22-C25
 1.52 with sigma of 0.02
 C6A-C7A = C7A-C9A
 1.52 with sigma of 0.02
 C9A-C7A = C7A-C8A
 1.52 with sigma of 0.02
 C8A-C7A = C7A-C10A
 1.52 with sigma of 0.02
 C10A-C7A = C7A-C9A
 1.52 with sigma of 0.02
 C8A-C7A = C7A-C6A
 1.52 with sigma of 0.02
 C5A-C2 = C2-C3A
 1.52 with sigma of 0.02
 C3A-C2 = C2-C4A
 1.52 with sigma of 0.02
 C4A-C2 = C2-C5A
 1.52 with sigma of 0.02
 C19A-C18A
 2.483 with sigma of 0.04
 C18A-C20A
 2.483 with sigma of 0.04
 C20A-C19A
 2.483 with sigma of 0.04
 C14A-C13A
 2.483 with sigma of 0.04
 C13A-C15A
 2.483 with sigma of 0.04
 C15A-C14A
 2.483 with sigma of 0.04
 C25A-C23A
 2.483 with sigma of 0.04
 C23A-C24A
 2.483 with sigma of 0.04
 C24A-C25A
 2.483 with sigma of 0.04
 C25A-C23A
 2.483 with sigma of 0.04
 C23A-C24A
 2.483 with sigma of 0.04
 C24A-C25A
 2.483 with sigma of 0.04
 C25-C23
 2.483 with sigma of 0.04
 C23-C24
 2.483 with sigma of 0.04
 C24-C25
 2.483 with sigma of 0.04
 C6A-C9A
 2.483 with sigma of 0.04
 C9A-C8A
 2.483 with sigma of 0.04
 C8A-C10A
 2.483 with sigma of 0.04
 C10A-C9A
 2.483 with sigma of 0.04
 C8A-C6A
 2.483 with sigma of 0.04
 C5A-C3A
 2.483 with sigma of 0.04
 C3A-C4A
 2.483 with sigma of 0.04
 C4A-C5A
 2.483 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C18) = Uanis(C20) = Uanis(C19)
Uanis(C19) = Uanis(C19A)
Uanis(C18) = Uanis(C18A)
Uanis(C20) = Uanis(C20A)
Uanis(C15) = Uanis(C15A)
Uanis(C14) = Uanis(C14A)
Uanis(C13) = Uanis(C13A)
Uanis(C23) = Uanis(C23A)
Uanis(C24) = Uanis(C24A)
Uanis(C25) = Uanis(C25A)
Uanis(C22) = Uanis(C22A)
Uanis(C7) = Uanis(C7A)
Uanis(C9) = Uanis(C9A)
Uanis(C10) = Uanis(C10A)
Uanis(C8) = Uanis(C8A)
Uanis(C6) = Uanis(C6A)
Uanis(C5) = Uanis(C5A)
Uanis(C3) = Uanis(C3A)
Uanis(C4) = Uanis(C4A)
4. Rigid body (RIGU) restrains
 C2, C3, C4, C5
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N4, C31, C32, C33
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C16, C17, C18, C19, C20, C18A, C19A, C20A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C11, C12, C13, C14, C15, C13A, C14A, C15A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C21, C22, C23, C24, C25, C22A, C23A, C24A, C25A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1, C2, C3, C4, C5, C3A, C4A, C5A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C6, C7, C8, C9, C10, C6A, C7A, C8A, C9A, C10A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C18A)=Sof(H18D)=Sof(H18F)=Sof(H18E)=Sof(C19A)=Sof(H19D)=Sof(H19E)=
 Sof(H19F)=Sof(C20A)=Sof(H20D)=Sof(H20E)=Sof(H20F)=1-FVAR(1)
 Sof(C18)=Sof(H18B)=Sof(H18C)=Sof(H18A)=Sof(C19)=Sof(H19A)=Sof(H19B)=Sof(H19C)=
 Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=FVAR(1)
 Sof(C13A)=Sof(H13D)=Sof(H13E)=Sof(H13F)=Sof(C14A)=Sof(H14D)=Sof(H14E)=
 Sof(H14F)=Sof(C15A)=Sof(H15D)=Sof(H15E)=Sof(H15F)=1-FVAR(2)
 Sof(C13)=Sof(H13A)=Sof(H13B)=Sof(H13C)=Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=
 Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(H15C)=FVAR(2)
 Sof(C22A)=Sof(C23A)=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C24A)=Sof(H24D)=
 Sof(H24E)=Sof(H24F)=Sof(C25A)=Sof(H25D)=Sof(H25E)=Sof(H25F)=1-FVAR(3)
 Sof(C22)=Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=
 Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)=FVAR(3)
 Sof(C6A)=Sof(C7A)=Sof(C8A)=Sof(H8AA)=Sof(H8AB)=Sof(H8AC)=Sof(C9A)=Sof(H9AA)=
 Sof(H9AB)=Sof(H9AC)=Sof(C10A)=Sof(H10D)=Sof(H10E)=Sof(H10F)=1-FVAR(4)
 Sof(C6)=Sof(C7)=Sof(C8)=Sof(H8A)=Sof(H8B)=Sof(H8C)=Sof(C9)=Sof(H9A)=Sof(H9B)=
 Sof(H9C)=Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=FVAR(4)
 Sof(C3A)=Sof(H3AA)=Sof(H3AB)=Sof(H3AC)=Sof(C4A)=Sof(H4AA)=Sof(H4AB)=Sof(H4AC)=
 Sof(C5A)=Sof(H5AA)=Sof(H5AB)=Sof(H5AC)=1-FVAR(5)
 Sof(C3)=Sof(H3C)=Sof(H3D)=Sof(H3E)=Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(H4C)=Sof(C5)=
 Sof(H5A)=Sof(H5B)=Sof(H5C)=FVAR(5)
6.a Ternary CH refined with riding coordinates:
 C31(H31)
6.b Secondary CH2 refined with riding coordinates:
 N1(H1A,H1B), N2(H2A,H2B), N3(H3A,H3B)
6.c Me refined with riding coordinates:
 C3(H3C,H3D,H3E), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C8(H8A,H8B,H8C), C9(H9A,
 H9B,H9C), C10(H10A,H10B,H10C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C),
 C15(H15A,H15B,H15C), C18(H18B,H18C,H18A), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C3A(H3AA,
 H3AB,H3AC), C4A(H4AA,H4AB,H4AC), C5A(H5AA,H5AB,H5AC), C8A(H8AA,H8AB,H8AC),
 C9A(H9AA,H9AB,H9AC), C10A(H10D,H10E,H10F), C13A(H13D,H13E,H13F), C14A(H14D,
 H14E,H14F), C15A(H15D,H15E,H15F), C18A(H18D,H18F,H18E), C19A(H19D,H19E,H19F),
 C20A(H20D,H20E,H20F), C23A(H23D,H23E,H23F), C24A(H24D,H24E,H24F), C25A(H25D,
 H25E,H25F)
6.d Idealised Me refined as rotating group:
 C2P(H2PA,H2PB,H2PC), C3P(H3PA,H3PB,H3PC), C5P(H5PA,H5PB,H5PC), C6P(H6PA,H6PB,
 H6PC), C8P(H8PA,H8PB,H8PC), C9P(H9PA,H9PB,H9PC), C28(H28A,H28B,H28C), C29(H29A,
 H29B,H29C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C)
;
_shelx_shelxl_version_number     2014/7
_olex2_date_sample_data_collection 2013-10-24
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/4, -y+1/4, z'
'x, -y+1/4, -z+1/4'
'-x+1/4, y, -z+1/4'
'x, y+1/2, z+1/2'
'-x+1/4, -y+3/4, z+1/2'
'x, -y+3/4, -z+3/4'
'-x+1/4, y+1/2, -z+3/4'
'x+1/2, y, z+1/2'
'-x+3/4, -y+1/4, z+1/2'
'x+1/2, -y+1/4, -z+3/4'
'-x+3/4, y, -z+3/4'
'x+1/2, y+1/2, z'
'-x+3/4, -y+3/4, z'
'x+1/2, -y+3/4, -z+1/4'
'-x+3/4, y+1/2, -z+1/4'
'-x, -y, -z'
'x-1/4, y-1/4, -z'
'-x, y-1/4, z-1/4'
'x-1/4, -y, z-1/4'
'-x, -y+1/2, -z+1/2'
'x-1/4, y+1/4, -z+1/2'
'-x, y+1/4, z+1/4'
'x-1/4, -y+1/2, z+1/4'
'-x+1/2, -y, -z+1/2'
'x+1/4, y-1/4, -z+1/2'
'-x+1/2, y-1/4, z+1/4'
'x+1/4, -y, z+1/4'
'-x+1/2, -y+1/2, -z'
'x+1/4, y+1/4, -z'
'-x+1/2, y+1/4, z-1/4'
'x+1/4, -y+1/2, z-1/4'
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 0.20605(2) 0.80449(2) 0.13042(2) 0.04626(13) Uani 1 1 d . . . . .
Dy2 Dy 0.18009(2) 0.87739(2) 0.03989(2) 0.03732(12) Uani 1 1 d . . . . .
Dy3 Dy 0.19585(2) 0.97424(2) 0.13537(2) 0.03601(11) Uani 1 1 d . . . . .
Cu1 Cu 0.20881(4) 0.78201(2) 0.05899(2) 0.0550(3) Uani 1 1 d . . . . .
Cu2 Cu 0.26113(3) 0.84110(3) 0.06238(2) 0.0512(3) Uani 1 1 d . . . . .
Cu3 Cu 0.14337(3) 1.02807(2) 0.09608(2) 0.0466(3) Uani 1 1 d . . . . .
P1 P 0.12973(7) 0.81096(5) 0.07403(5) 0.0437(5) Uani 1 1 d . . . . .
P2 P 0.22767(6) 0.88880(5) 0.11189(5) 0.0401(5) Uani 1 1 d . . . . .
P3 P 0.13333(6) 0.95428(5) 0.07171(4) 0.0355(5) Uani 1 1 d . . . . .
O1 O 0.2111(2) 0.73563(15) 0.07545(16) 0.075(2) Uani 1 1 d . . . . .
O1OH O 0.21872(16) 0.82662(13) 0.03819(11) 0.0444(14) Uani 1 1 d . . . . .
O1P O 0.16502(17) 0.80484(12) 0.09202(11) 0.0433(14) Uani 1 1 d . . . . .
O2 O 0.2066(2) 0.74756(15) 0.12293(15) 0.076(2) Uani 1 1 d . . . . .
O2OH O 0.24326(17) 0.80191(13) 0.08700(12) 0.0504(15) Uani 1 1 d . . . . .
O2P O 0.13393(15) 0.84287(13) 0.05527(11) 0.0410(13) Uani 1 1 d . . . . .
O3 O 0.2321(3) 0.7953(2) 0.17784(15) 0.093(3) Uani 1 1 d . . . . .
O3OH O 0.15817(16) 1.02435(12) 0.13728(12) 0.0447(14) Uani 1 1 d . . . . .
O3P O 0.15579(17) 0.81185(13) 0.15842(11) 0.0460(14) Uani 1 1 d . . . . .
O4 O 0.2726(2) 0.79946(17) 0.14278(15) 0.0671(19) Uani 1 1 d . . . . .
O4P O 0.21930(18) 0.86042(13) 0.13385(11) 0.0474(14) Uani 1 1 d . . . . .
O5 O 0.28449(18) 0.86987(15) 0.03213(13) 0.0551(16) Uani 1 1 d . . . . .
O5P O 0.21314(16) 0.92241(13) 0.12255(11) 0.0429(13) Uani 1 1 d . . . . .
O6 O 0.23326(16) 0.89922(13) 0.01958(11) 0.0437(13) Uani 1 1 d . . . . .
O6P O 0.21421(15) 0.87918(13) 0.08148(11) 0.0387(12) Uani 1 1 d . . . . .
O7 O 0.17109(19) 0.85204(15) -0.00922(13) 0.0566(16) Uani 1 1 d . . . . .
O7P O 0.14825(14) 0.92087(12) 0.06023(10) 0.0343(12) Uani 1 1 d . . . . .
O8 O 0.15148(19) 0.90364(16) -0.00188(13) 0.0609(17) Uani 1 1 d . . . . .
O8P O 0.15593(14) 0.96944(12) 0.09700(10) 0.0339(11) Uani 1 1 d . . . . .
O9 O 0.25485(18) 0.96918(17) 0.15881(15) 0.0675(19) Uani 1 1 d . . . . .
O9P O 0.09146(14) 0.95177(13) 0.07944(11) 0.0383(12) Uani 1 1 d . . . . .
O10 O 0.22058(18) 1.01160(15) 0.17419(13) 0.0557(16) Uani 1 1 d . . . . .
O11 O 0.22823(17) 1.00988(15) 0.10405(14) 0.0542(16) Uani 1 1 d . . . . .
O12 O 0.19073(19) 1.04761(16) 0.08277(14) 0.0612(17) Uani 1 1 d . . . . .
N1 N 0.1646(2) 0.77174(18) 0.03410(16) 0.064(2) Uani 1 1 d . . . . .
H1A H 0.1650 0.7857 0.0188 0.077 Uiso 1 1 calc R . . . .
H1B H 0.1670 0.7506 0.0273 0.077 Uiso 1 1 calc R . . . .
N2 N 0.2916(2) 0.86003(19) 0.09480(17) 0.058(2) Uani 1 1 d . . . . .
H2A H 0.2933 0.8442 0.1087 0.070 Uiso 1 1 calc R . . . .
H2B H 0.3147 0.8636 0.0881 0.070 Uiso 1 1 calc R . . . .
N3 N 0.1253(2) 1.01942(17) 0.05569(15) 0.0512(19) Uani 1 1 d . . . . .
H3A H 0.1004 1.0205 0.0557 0.061 Uiso 1 1 calc R . . . .
H3B H 0.1336 1.0361 0.0442 0.061 Uiso 1 1 calc R . . . .
C1 C 0.2088(3) 0.7268(2) 0.1020(3) 0.077(3) Uani 1 1 d . U . . .
C1P C 0.1270(3) 0.7748(2) 0.0488(2) 0.061(3) Uani 1 1 d . . . . .
C2 C 0.2110(4) 0.6886(2) 0.1094(3) 0.084(3) Uani 1 1 d D U . . .
C2P C 0.0963(3) 0.7806(3) 0.0258(2) 0.074(3) Uani 1 1 d . . . . .
H2PA H 0.0948 0.7612 0.0132 0.111 Uiso 1 1 calc GR . . . .
H2PB H 0.1022 0.8005 0.0144 0.111 Uiso 1 1 calc GR . . . .
H2PC H 0.0727 0.7839 0.0355 0.111 Uiso 1 1 calc GR . . . .
C3P C 0.1189(3) 0.7418(2) 0.0657(2) 0.077(4) Uani 1 1 d . . . . .
H3PA H 0.0934 0.7419 0.0722 0.115 Uiso 1 1 calc GR . . . .
H3PB H 0.1353 0.7404 0.0823 0.115 Uiso 1 1 calc GR . . . .
H3PC H 0.1230 0.7226 0.0531 0.115 Uiso 1 1 calc GR . . . .
C4P C 0.2784(3) 0.8925(2) 0.10889(19) 0.050(2) Uani 1 1 d . . . . .
C5P C 0.2977(3) 0.8963(3) 0.1386(2) 0.075(3) Uani 1 1 d . . . . .
H5PA H 0.3243 0.8974 0.1359 0.113 Uiso 1 1 calc GR . . . .
H5PB H 0.2916 0.8771 0.1507 0.113 Uiso 1 1 calc GR . . . .
H5PC H 0.2892 0.9169 0.1479 0.113 Uiso 1 1 calc GR . . . .
C6P C 0.2883(3) 0.9224(2) 0.0894(2) 0.065(3) Uani 1 1 d . . . . .
H6PA H 0.2827 0.9433 0.0994 0.097 Uiso 1 1 calc GR . . . .
H6PB H 0.2739 0.9211 0.0717 0.097 Uiso 1 1 calc GR . . . .
H6PC H 0.3145 0.9216 0.0848 0.097 Uiso 1 1 calc GR . . . .
C7P C 0.1367(2) 0.9858(2) 0.04229(17) 0.045(2) Uani 1 1 d . . . . .
C8P C 0.1783(3) 0.9879(2) 0.0322(2) 0.058(3) Uani 1 1 d . . . . .
H8PA H 0.1843 0.9685 0.0204 0.087 Uiso 1 1 calc GR . . . .
H8PB H 0.1944 0.9884 0.0490 0.087 Uiso 1 1 calc GR . . . .
H8PC H 0.1819 1.0083 0.0210 0.087 Uiso 1 1 calc GR . . . .
C9P C 0.1117(3) 0.9771(2) 0.01684(18) 0.059(3) Uani 1 1 d . . . . .
H9PA H 0.1129 0.9950 0.0026 0.089 Uiso 1 1 calc GR . . . .
H9PB H 0.0864 0.9746 0.0236 0.089 Uiso 1 1 calc GR . . . .
H9PC H 0.1199 0.9561 0.0081 0.089 Uiso 1 1 calc GR . . . .
C11 C 0.1578(3) 0.8789(2) -0.01919(19) 0.050(2) Uani 1 1 d . U . . .
C12 C 0.1483(3) 0.8829(3) -0.0515(2) 0.068(2) Uani 1 1 d D U . . .
C16 C 0.2678(3) 0.8924(2) 0.01733(19) 0.051(2) Uani 1 1 d . U . . .
C17 C 0.2902(3) 0.9136(3) -0.0048(2) 0.069(2) Uani 1 1 d D U . . .
C21 C 0.2515(3) 0.9959(3) 0.1740(2) 0.060(2) Uani 1 1 d . U . . .
C26 C 0.2224(3) 1.0357(2) 0.0888(2) 0.052(2) Uani 1 1 d . . . . .
C27 C 0.2562(3) 1.0542(3) 0.0763(3) 0.073(3) Uani 1 1 d . . . . .
C28 C 0.2823(4) 1.0631(5) 0.1001(4) 0.138(6) Uani 1 1 d . . . . .
H28A H 0.2702 1.0785 0.1134 0.207 Uiso 1 1 calc GR . . . .
H28B H 0.3041 1.0738 0.0920 0.207 Uiso 1 1 calc GR . . . .
H28C H 0.2895 1.0428 0.1103 0.207 Uiso 1 1 calc GR . . . .
C29 C 0.2464(4) 1.0852(4) 0.0585(4) 0.146(7) Uani 1 1 d . . . . .
H29A H 0.2230 1.0815 0.0486 0.219 Uiso 1 1 calc GR . . . .
H29B H 0.2657 1.0893 0.0443 0.219 Uiso 1 1 calc GR . . . .
H29C H 0.2442 1.1046 0.0712 0.219 Uiso 1 1 calc GR . . . .
C30 C 0.2739(4) 1.0301(4) 0.0542(3) 0.117(5) Uani 1 1 d . . . . .
H30A H 0.2841 1.0107 0.0643 0.176 Uiso 1 1 calc GR . . . .
H30B H 0.2935 1.0417 0.0439 0.176 Uiso 1 1 calc GR . . . .
H30C H 0.2552 1.0226 0.0405 0.176 Uiso 1 1 calc GR . . . .
C3 C 0.1798(6) 0.6815(4) 0.1303(4) 0.083(4) Uani 0.716(12) 1 d . U P A 1
H3C H 0.1804 0.6979 0.1459 0.125 Uiso 0.716(12) 1 calc R . P A 1
H3D H 0.1563 0.6830 0.1202 0.125 Uiso 0.716(12) 1 calc R . P A 1
H3E H 0.1827 0.6590 0.1383 0.125 Uiso 0.716(12) 1 calc R . P A 1
C4 C 0.2150(6) 0.6672(3) 0.0848(4) 0.092(4) Uani 0.716(12) 1 d . U P A 1
H4A H 0.2360 0.6747 0.0734 0.138 Uiso 0.716(12) 1 calc R . P A 1
H4B H 0.2191 0.6442 0.0912 0.138 Uiso 0.716(12) 1 calc R . P A 1
H4C H 0.1926 0.6682 0.0732 0.138 Uiso 0.716(12) 1 calc R . P A 1
C5 C 0.2484(6) 0.6835(4) 0.1284(4) 0.100(4) Uani 0.716(12) 1 d . U P A 1
H5A H 0.2472 0.6976 0.1455 0.151 Uiso 0.716(12) 1 calc R . P A 1
H5B H 0.2506 0.6600 0.1341 0.151 Uiso 0.716(12) 1 calc R . P A 1
H5C H 0.2698 0.6899 0.1169 0.151 Uiso 0.716(12) 1 calc R . P A 1
C6 C 0.2657(9) 0.7948(12) 0.1692(8) 0.094(4) Uani 0.758(18) 1 d . U P B 1
C7 C 0.2998(7) 0.7896(6) 0.1904(5) 0.113(4) Uani 0.758(18) 1 d . U P B 1
C8 C 0.2878(7) 0.8025(6) 0.2220(4) 0.117(5) Uani 0.758(18) 1 d . U P B 1
H8A H 0.2851 0.8269 0.2217 0.175 Uiso 0.758(18) 1 calc R . P B 1
H8B H 0.2645 0.7922 0.2274 0.175 Uiso 0.758(18) 1 calc R . P B 1
H8C H 0.3067 0.7963 0.2360 0.175 Uiso 0.758(18) 1 calc R . P B 1
C9 C 0.3035(7) 0.7515(5) 0.1928(5) 0.130(5) Uani 0.758(18) 1 d . U P B 1
H9A H 0.2804 0.7421 0.1999 0.195 Uiso 0.758(18) 1 calc R . P B 1
H9B H 0.3092 0.7421 0.1739 0.195 Uiso 0.758(18) 1 calc R . P B 1
H9C H 0.3233 0.7460 0.2062 0.195 Uiso 0.758(18) 1 calc R . P B 1
C10 C 0.3342(6) 0.8085(6) 0.1795(4) 0.120(5) Uani 0.758(18) 1 d . U P B 1
H10A H 0.3290 0.8325 0.1787 0.181 Uiso 0.758(18) 1 calc R . P B 1
H10B H 0.3548 0.8044 0.1925 0.181 Uiso 0.758(18) 1 calc R . P B 1
H10C H 0.3406 0.8005 0.1603 0.181 Uiso 0.758(18) 1 calc R . P B 1
C13 C 0.1751(5) 0.8630(4) -0.0701(3) 0.077(3) Uani 0.730(11) 1 d . U P C 1
H13A H 0.2002 0.8705 -0.0662 0.116 Uiso 0.730(11) 1 calc R . P C 1
H13B H 0.1730 0.8392 -0.0655 0.116 Uiso 0.730(11) 1 calc R . P C 1
H13C H 0.1693 0.8665 -0.0903 0.116 Uiso 0.730(11) 1 calc R . P C 1
C14 C 0.1520(5) 0.9215(4) -0.0604(3) 0.082(3) Uani 0.730(11) 1 d . U P C 1
H14A H 0.1351 0.9349 -0.0488 0.123 Uiso 0.730(11) 1 calc R . P C 1
H14B H 0.1772 0.9290 -0.0570 0.123 Uiso 0.730(11) 1 calc R . P C 1
H14C H 0.1460 0.9241 -0.0807 0.123 Uiso 0.730(11) 1 calc R . P C 1
C15 C 0.1080(5) 0.8727(5) -0.0561(3) 0.083(3) Uani 0.730(11) 1 d . U P C 1
H15A H 0.0921 0.8862 -0.0437 0.125 Uiso 0.730(11) 1 calc R . P C 1
H15B H 0.1012 0.8764 -0.0762 0.125 Uiso 0.730(11) 1 calc R . P C 1
H15C H 0.1049 0.8491 -0.0514 0.125 Uiso 0.730(11) 1 calc R . P C 1
C18 C 0.2922(5) 0.9481(4) 0.0059(4) 0.083(2) Uani 0.662(10) 1 d . U P D 1
H18B H 0.2674 0.9562 0.0102 0.125 Uiso 0.662(10) 1 calc R . P D 1
H18C H 0.3071 0.9487 0.0234 0.125 Uiso 0.662(10) 1 calc R . P D 1
H18A H 0.3034 0.9624 -0.0087 0.125 Uiso 0.662(10) 1 calc R . P D 1
C19 C 0.2683(5) 0.9118(5) -0.0343(4) 0.083(2) Uani 0.662(10) 1 d . U P D 1
H19A H 0.2673 0.8886 -0.0409 0.125 Uiso 0.662(10) 1 calc R . P D 1
H19B H 0.2433 0.9201 -0.0314 0.125 Uiso 0.662(10) 1 calc R . P D 1
H19C H 0.2807 0.9256 -0.0486 0.125 Uiso 0.662(10) 1 calc R . P D 1
C20 C 0.3261(5) 0.8953(5) -0.0130(4) 0.083(2) Uani 0.662(10) 1 d . U P D 1
H20A H 0.3204 0.8727 -0.0197 0.125 Uiso 0.662(10) 1 calc R . P D 1
H20B H 0.3386 0.9076 -0.0283 0.125 Uiso 0.662(10) 1 calc R . P D 1
H20C H 0.3423 0.8940 0.0038 0.125 Uiso 0.662(10) 1 calc R . P D 1
C22 C 0.2824(8) 1.0068(6) 0.1946(6) 0.082(3) Uani 0.49(3) 1 d D U P E 1
C23 C 0.2803(12) 1.0441(6) 0.2035(9) 0.098(5) Uani 0.49(3) 1 d D U P E 1
H23A H 0.2564 1.0486 0.2123 0.146 Uiso 0.49(3) 1 calc R . P E 1
H23B H 0.2998 1.0490 0.2173 0.146 Uiso 0.49(3) 1 calc R . P E 1
H23C H 0.2833 1.0582 0.1865 0.146 Uiso 0.49(3) 1 calc R . P E 1
C24 C 0.2803(10) 0.9835(7) 0.2214(6) 0.096(5) Uani 0.49(3) 1 d D U P E 1
H24A H 0.2569 0.9871 0.2313 0.144 Uiso 0.49(3) 1 calc R . P E 1
H24B H 0.2819 0.9601 0.2152 0.144 Uiso 0.49(3) 1 calc R . P E 1
H24C H 0.3006 0.9886 0.2344 0.144 Uiso 0.49(3) 1 calc R . P E 1
C25 C 0.3198(7) 0.9991(9) 0.1807(7) 0.096(5) Uani 0.49(3) 1 d D U P E 1
H25A H 0.3395 1.0059 0.1937 0.143 Uiso 0.49(3) 1 calc R . P E 1
H25B H 0.3217 0.9751 0.1770 0.143 Uiso 0.49(3) 1 calc R . P E 1
H25C H 0.3220 1.0114 0.1626 0.143 Uiso 0.49(3) 1 calc R . P E 1
C3A C 0.1837(9) 0.6718(8) 0.0868(6) 0.083(4) Uani 0.284(12) 1 d D U P A 2
H3AA H 0.1914 0.6777 0.0673 0.125 Uiso 0.284(12) 1 calc R . P A 2
H3AB H 0.1843 0.6475 0.0890 0.125 Uiso 0.284(12) 1 calc R . P A 2
H3AC H 0.1587 0.6799 0.0901 0.125 Uiso 0.284(12) 1 calc R . P A 2
C4A C 0.2485(7) 0.6749(9) 0.1000(9) 0.092(4) Uani 0.284(12) 1 d D U P A 2
H4AA H 0.2551 0.6843 0.0814 0.138 Uiso 0.284(12) 1 calc R . P A 2
H4AB H 0.2671 0.6811 0.1142 0.138 Uiso 0.284(12) 1 calc R . P A 2
H4AC H 0.2472 0.6505 0.0986 0.138 Uiso 0.284(12) 1 calc R . P A 2
C5A C 0.1952(12) 0.6770(12) 0.1383(6) 0.100(4) Uani 0.284(12) 1 d D U P A 2
H5AA H 0.1713 0.6876 0.1415 0.151 Uiso 0.284(12) 1 calc R . P A 2
H5AB H 0.1921 0.6527 0.1381 0.151 Uiso 0.284(12) 1 calc R . P A 2
H5AC H 0.2120 0.6833 0.1537 0.151 Uiso 0.284(12) 1 calc R . P A 2
C6A C 0.264(2) 0.794(4) 0.169(2) 0.094(4) Uani 0.242(18) 1 d D U P B 2
C7A C 0.2906(13) 0.7851(12) 0.1937(10) 0.113(4) Uani 0.242(18) 1 d D U P B 2
C8A C 0.2781(17) 0.7522(12) 0.2083(12) 0.117(5) Uani 0.242(18) 1 d D U P B 2
H8AA H 0.2532 0.7549 0.2158 0.175 Uiso 0.242(18) 1 calc R . P B 2
H8AB H 0.2784 0.7340 0.1942 0.175 Uiso 0.242(18) 1 calc R . P B 2
H8AC H 0.2949 0.7468 0.2240 0.175 Uiso 0.242(18) 1 calc R . P B 2
C9A C 0.3299(14) 0.7820(18) 0.1815(13) 0.130(5) Uani 0.242(18) 1 d D U P B 2
H9AA H 0.3469 0.7761 0.1969 0.195 Uiso 0.242(18) 1 calc R . P B 2
H9AB H 0.3304 0.7646 0.1667 0.195 Uiso 0.242(18) 1 calc R . P B 2
H9AC H 0.3374 0.8033 0.1730 0.195 Uiso 0.242(18) 1 calc R . P B 2
C10A C 0.290(2) 0.8143(13) 0.2156(13) 0.120(5) Uani 0.242(18) 1 d D U P B 2
H10D H 0.2650 0.8166 0.2235 0.181 Uiso 0.242(18) 1 calc R . P B 2
H10E H 0.3071 0.8097 0.2312 0.181 Uiso 0.242(18) 1 calc R . P B 2
H10F H 0.2967 0.8351 0.2060 0.181 Uiso 0.242(18) 1 calc R . P B 2
C13A C 0.1292(11) 0.8497(6) -0.0603(8) 0.077(3) Uani 0.270(11) 1 d D U P C 2
H13D H 0.1460 0.8310 -0.0570 0.116 Uiso 0.270(11) 1 calc R . P C 2
H13E H 0.1070 0.8466 -0.0488 0.116 Uiso 0.270(11) 1 calc R . P C 2
H13F H 0.1227 0.8506 -0.0806 0.116 Uiso 0.270(11) 1 calc R . P C 2
C14A C 0.1850(7) 0.8872(11) -0.0677(8) 0.082(3) Uani 0.270(11) 1 d D U P C 2
H14D H 0.2009 0.8680 -0.0638 0.123 Uiso 0.270(11) 1 calc R . P C 2
H14E H 0.1802 0.8886 -0.0883 0.123 Uiso 0.270(11) 1 calc R . P C 2
H14F H 0.1971 0.9077 -0.0612 0.123 Uiso 0.270(11) 1 calc R . P C 2
C15A C 0.1220(10) 0.9122(8) -0.0567(9) 0.083(3) Uani 0.270(11) 1 d D U P C 2
H15D H 0.0992 0.9085 -0.0461 0.125 Uiso 0.270(11) 1 calc R . P C 2
H15E H 0.1335 0.9330 -0.0502 0.125 Uiso 0.270(11) 1 calc R . P C 2
H15F H 0.1166 0.9139 -0.0772 0.125 Uiso 0.270(11) 1 calc R . P C 2
C18A C 0.3282(6) 0.9233(8) 0.0078(6) 0.083(2) Uani 0.338(10) 1 d D U P D 2
H18D H 0.3248 0.9355 0.0257 0.125 Uiso 0.338(10) 1 calc R . P D 2
H18F H 0.3425 0.9030 0.0114 0.125 Uiso 0.338(10) 1 calc R . P D 2
H18E H 0.3413 0.9374 -0.0060 0.125 Uiso 0.338(10) 1 calc R . P D 2
C19A C 0.2706(8) 0.9470(6) -0.0135(7) 0.083(2) Uani 0.338(10) 1 d D U P D 2
H19D H 0.2670 0.9608 0.0036 0.125 Uiso 0.338(10) 1 calc R . P D 2
H19E H 0.2859 0.9591 -0.0273 0.125 Uiso 0.338(10) 1 calc R . P D 2
H19F H 0.2468 0.9419 -0.0222 0.125 Uiso 0.338(10) 1 calc R . P D 2
C20A C 0.2944(10) 0.8941(7) -0.0332(5) 0.083(2) Uani 0.338(10) 1 d D U P D 2
H20D H 0.2701 0.8883 -0.0406 0.125 Uiso 0.338(10) 1 calc R . P D 2
H20E H 0.3073 0.9080 -0.0472 0.125 Uiso 0.338(10) 1 calc R . P D 2
H20F H 0.3085 0.8736 -0.0298 0.125 Uiso 0.338(10) 1 calc R . P D 2
C22A C 0.2872(8) 1.0063(6) 0.1915(6) 0.082(3) Uani 0.51(3) 1 d D U P E 2
C23A C 0.2758(11) 1.0363(7) 0.2105(8) 0.098(5) Uani 0.51(3) 1 d D U P E 2
H23D H 0.2558 1.0295 0.2233 0.146 Uiso 0.51(3) 1 calc R . P E 2
H23E H 0.2968 1.0436 0.2219 0.146 Uiso 0.51(3) 1 calc R . P E 2
H23F H 0.2675 1.0547 0.1983 0.146 Uiso 0.51(3) 1 calc R . P E 2
C24A C 0.2991(10) 0.9762(6) 0.2103(7) 0.096(5) Uani 0.51(3) 1 d D U P E 2
H24D H 0.2793 0.9704 0.2236 0.144 Uiso 0.51(3) 1 calc R . P E 2
H24E H 0.3044 0.9570 0.1979 0.144 Uiso 0.51(3) 1 calc R . P E 2
H24F H 0.3212 0.9821 0.2211 0.144 Uiso 0.51(3) 1 calc R . P E 2
C25A C 0.3187(7) 1.0150(9) 0.1708(6) 0.096(5) Uani 0.51(3) 1 d D U P E 2
H25D H 0.3248 0.9952 0.1593 0.143 Uiso 0.51(3) 1 calc R . P E 2
H25E H 0.3109 1.0331 0.1581 0.143 Uiso 0.51(3) 1 calc R . P E 2
H25F H 0.3402 1.0220 0.1817 0.143 Uiso 0.51(3) 1 calc R . P E 2
N4 N 0.1802(2) 0.8834(2) 0.18416(15) 0.0480(19) Uani 1 1 d . U . . .
H4D H 0.193(3) 0.875(2) 0.172(2) 0.058 Uiso 1 1 d R . . . .
H4E H 0.175(2) 0.906(2) 0.1809(19) 0.058 Uiso 1 1 d R . . . .
C31 C 0.2059(3) 0.8788(4) 0.2099(2) 0.089(4) Uani 1 1 d . U . . .
H31 H 0.2163 0.8558 0.2081 0.107 Uiso 1 1 calc R . . . .
C32 C 0.1880(4) 0.8797(5) 0.2371(3) 0.136(6) Uani 1 1 d . U . . .
H32A H 0.2052 0.8726 0.2520 0.203 Uiso 1 1 calc GR . . . .
H32B H 0.1668 0.8647 0.2368 0.203 Uiso 1 1 calc GR . . . .
H32C H 0.1798 0.9025 0.2411 0.203 Uiso 1 1 calc GR . . . .
C33 C 0.2381(4) 0.9024(5) 0.2077(3) 0.135(6) Uani 1 1 d . U . . .
H33A H 0.2293 0.9255 0.2083 0.202 Uiso 1 1 calc GR . . . .
H33B H 0.2510 0.8986 0.1896 0.202 Uiso 1 1 calc GR . . . .
H33C H 0.2549 0.8985 0.2237 0.202 Uiso 1 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
O1P Dy1 Cu1 43.89(13) . .
O1P Dy1 O2OH 73.7(2) . .
O1P Dy1 O3 161.4(3) . .
O1P Dy1 O4 143.0(2) . .
O1P Dy1 C6 167.2(11) . .
O1P Dy1 C6A 168(3) . .
O2 Dy1 Cu1 66.17(17) . .
O2 Dy1 O1P 84.0(2) . .
O2 Dy1 O2OH 80.1(2) . .
O2 Dy1 O3 89.1(3) . .
O2 Dy1 O4 87.0(3) . .
O2 Dy1 C6 87.4(11) . .
O2 Dy1 C6A 87(3) . .
O2OH Dy1 Cu1 34.06(16) . .
O2OH Dy1 O4 69.5(2) . .
O2OH Dy1 C6 95.6(9) . .
O2OH Dy1 C6A 97(3) . .
O3 Dy1 Cu1 145.7(2) . .
O3 Dy1 O2OH 122.1(3) . .
O3 Dy1 O4 53.2(3) . .
O3 Dy1 C6 26.7(8) . .
O3 Dy1 C6A 26(2) . .
O3P Dy1 Cu1 127.81(15) . .
O3P Dy1 O1P 85.7(2) . .
O3P Dy1 O2 102.8(2) . .
O3P Dy1 O2OH 158.8(2) . .
O3P Dy1 O3 79.1(2) . .
O3P Dy1 O4 131.3(2) . .
O3P Dy1 O4P 90.2(2) . .
O3P Dy1 C6 105.5(9) . .
O3P Dy1 C6A 104(3) . .
O4 Dy1 Cu1 99.98(16) . .
O4 Dy1 C6 26.4(8) . .
O4 Dy1 C6A 28(2) . .
O4P Dy1 Cu1 108.37(13) . .
O4P Dy1 O1P 100.49(19) . .
O4P Dy1 O2 166.6(2) . .
O4P Dy1 O2OH 88.98(19) . .
O4P Dy1 O3 90.2(3) . .
O4P Dy1 O4 81.9(2) . .
O4P Dy1 C6 85.9(10) . .
O4P Dy1 C6A 86(3) . .
C6 Dy1 Cu1 123.6(10) . .
C6A Dy1 Cu1 124(3) . .
O1OH Dy2 Cu2 34.69(13) . .
O1OH Dy2 O7 73.4(2) . .
O1OH Dy2 C11 98.4(2) . .
O2P Dy2 Cu2 106.17(14) . .
O2P Dy2 O1OH 86.10(19) . .
O2P Dy2 O6 164.75(19) . .
O2P Dy2 O6P 98.68(19) . .
O2P Dy2 O7 86.93(19) . .
O2P Dy2 O7P 87.54(18) . .
O2P Dy2 O8 101.3(2) . .
O2P Dy2 C11 96.1(2) . .
O6 Dy2 Cu2 64.53(14) . .
O6 Dy2 O1OH 79.74(18) . .
O6 Dy2 O7 83.7(2) . .
O6 Dy2 O8 82.5(2) . .
O6 Dy2 C11 80.6(2) . .
O6P Dy2 Cu2 45.29(13) . .
O6P Dy2 O1OH 75.27(18) . .
O6P Dy2 O6 83.23(19) . .
O6P Dy2 O7 147.7(2) . .
O6P Dy2 O8 152.4(2) . .
O6P Dy2 C11 163.5(2) . .
O7 Dy2 Cu2 102.56(16) . .
O7 Dy2 C11 26.1(2) . .
O7P Dy2 Cu2 128.68(13) . .
O7P Dy2 O1OH 157.42(17) . .
O7P Dy2 O6 107.70(18) . .
O7P Dy2 O6P 84.32(18) . .
O7P Dy2 O7 127.8(2) . .
O7P Dy2 O8 77.79(19) . .
O7P Dy2 C11 103.8(2) . .
O8 Dy2 Cu2 141.87(16) . .
O8 Dy2 O1OH 124.73(19) . .
O8 Dy2 O7 52.8(2) . .
O8 Dy2 C11 26.8(2) . .
C11 Dy2 Cu2 122.8(2) . .
O3OH Dy3 Cu3 35.23(13) . .
O3OH Dy3 O10 71.7(2) . .
O3OH Dy3 C21 97.3(3) . .
O5P Dy3 Cu3 126.60(13) . .
O5P Dy3 O3OH 158.21(19) . .
O5P Dy3 O8P 83.90(18) . .
O5P Dy3 O9 78.1(2) . .
O5P Dy3 O9P 89.69(19) . 4
O5P Dy3 O10 129.8(2) . .
O5P Dy3 O11 104.7(2) . .
O5P Dy3 C21 104.5(3) . .
O8P Dy3 Cu3 44.38(12) . .
O8P Dy3 O3OH 75.06(18) . .
O8P Dy3 O9 154.2(2) . .
O8P Dy3 O10 146.22(19) . .
O8P Dy3 O11 83.4(2) . .
O8P Dy3 C21 164.2(2) . .
O9 Dy3 Cu3 142.44(18) . .
O9 Dy3 O3OH 123.6(2) . .
O9 Dy3 O10 53.6(2) . .
O9 Dy3 C21 26.8(3) . .
O9P Dy3 Cu3 107.30(13) 4 .
O9P Dy3 O3OH 87.89(19) 4 .
O9P Dy3 O8P 98.48(18) 4 .
O9P Dy3 O9 99.7(2) 4 .
O9P Dy3 O10 86.0(2) 4 .
O9P Dy3 O11 165.64(19) 4 .
O9P Dy3 C21 95.0(2) 4 .
O10 Dy3 Cu3 102.22(15) . .
O10 Dy3 C21 26.9(2) . .
O11 Dy3 Cu3 64.25(16) . .
O11 Dy3 O3OH 78.8(2) . .
O11 Dy3 O9 83.5(2) . .
O11 Dy3 O10 84.7(2) . .
O11 Dy3 C21 81.5(3) . .
C21 Dy3 Cu3 123.1(2) . .
Cu2 Cu1 Dy1 76.44(3) . .
O1 Cu1 Dy1 82.7(2) . .
O1 Cu1 Cu2 132.3(3) . .
O1 Cu1 O1OH 166.2(3) . .
O1 Cu1 O1P 97.7(2) . .
O1 Cu1 N1 93.7(3) . .
O1OH Cu1 Dy1 103.49(15) . .
O1OH Cu1 Cu2 40.72(17) . .
O1OH Cu1 O1P 95.08(19) . .
O1P Cu1 Dy1 42.39(14) . .
O1P Cu1 Cu2 94.99(13) . .
O2OH Cu1 Dy1 43.66(16) . .
O2OH Cu1 Cu2 41.87(16) . .
O2OH Cu1 O1 95.4(3) . .
O2OH Cu1 O1OH 81.4(2) . .
O2OH Cu1 O1P 81.0(2) . .
O2OH Cu1 N1 164.5(3) . .
N1 Cu1 Dy1 125.6(2) . .
N1 Cu1 Cu2 133.2(2) . .
N1 Cu1 O1OH 92.6(3) . .
N1 Cu1 O1P 85.2(3) . .
Cu1 Cu2 Dy2 77.04(4) . .
O1OH Cu2 Dy2 44.76(15) . .
O1OH Cu2 Cu1 42.34(15) . .
O1OH Cu2 O2OH 81.3(2) . .
O1OH Cu2 O5 95.6(2) . .
O1OH Cu2 O6P 81.2(2) . .
O1OH Cu2 N2 162.7(3) . .
O2OH Cu2 Dy2 102.74(18) . .
O2OH Cu2 Cu1 40.10(18) . .
O2OH Cu2 O6P 92.91(19) . .
O5 Cu2 Dy2 84.70(19) . .
O5 Cu2 Cu1 132.4(2) . .
O5 Cu2 O2OH 165.0(2) . .
O5 Cu2 O6P 101.2(2) . .
O5 Cu2 N2 94.5(3) . .
O6P Cu2 Dy2 41.81(12) . .
O6P Cu2 Cu1 93.75(13) . .
N2 Cu2 Dy2 122.6(2) . .
N2 Cu2 Cu1 132.4(2) . .
N2 Cu2 O2OH 92.4(3) . .
N2 Cu2 O6P 83.0(2) . .
Cu3 Cu3 Dy3 76.58(4) 4 .
O3OH Cu3 Dy3 44.51(15) . .
O3OH Cu3 Dy3 105.40(15) 4 .
O3OH Cu3 Cu3 42.23(17) . 4
O3OH Cu3 Cu3 41.34(16) 4 4
O3OH Cu3 O3OH 82.9(3) . 4
O3OH Cu3 O8P 81.86(19) . .
O3OH Cu3 O8P 95.62(19) 4 .
O3OH Cu3 N3 165.5(2) . .
O8P Cu3 Dy3 42.60(12) . .
O8P Cu3 Cu3 93.95(12) . 4
O12 Cu3 Dy3 86.0(2) . .
O12 Cu3 Cu3 131.6(2) . 4
O12 Cu3 O3OH 160.9(2) . 4
O12 Cu3 O3OH 95.5(3) . .
O12 Cu3 O8P 103.0(2) . .
O12 Cu3 N3 93.4(3) . .
N3 Cu3 Dy3 125.0(2) . .
N3 Cu3 Cu3 133.5(2) . 4
N3 Cu3 O3OH 92.4(3) . 4
N3 Cu3 O8P 84.9(2) . .
O1P P1 O2P 110.6(3) . .
O1P P1 C1P 105.2(4) . .
O2P P1 C1P 106.6(4) . .
O3P P1 O1P 114.4(3) 4 .
O3P P1 O2P 111.4(3) 4 .
O3P P1 C1P 108.1(4) 4 .
O4P P2 C4P 107.6(4) . .
O5P P2 O4P 111.1(3) . .
O5P P2 O6P 114.0(3) . .
O5P P2 C4P 107.4(4) . .
O6P P2 O4P 111.0(3) . .
O6P P2 C4P 105.4(4) . .
O7P P3 O8P 114.5(3) . .
O7P P3 O9P 111.5(3) . .
O7P P3 C7P 107.9(3) . .
O8P P3 O9P 111.3(3) . .
O8P P3 C7P 105.0(3) . .
O9P P3 C7P 106.1(4) . .
C1 O1 Cu1 128.1(6) . .
Cu1 O1OH Dy2 126.6(2) . .
Cu2 O1OH Dy2 100.6(2) . .
Cu2 O1OH Cu1 96.9(2) . .
Dy1 O1P Cu1 93.7(2) . .
P1 O1P Dy1 160.9(3) . .
P1 O1P Cu1 105.3(3) . .
C1 O2 Dy1 139.0(6) . .
Cu1 O2OH Dy1 102.3(3) . .
Cu1 O2OH Cu2 98.0(2) . .
Cu2 O2OH Dy1 127.5(2) . .
P1 O2P Dy2 138.0(4) . .
C6 O3 Dy1 95.1(14) . .
C6A O3 Dy1 94(4) . .
Cu3 O3OH Dy3 126.5(2) 4 .
Cu3 O3OH Dy3 100.3(2) . .
Cu3 O3OH Cu3 96.4(3) . 4
P1 O3P Dy1 170.7(4) 4 .
C6 O4 Dy1 92.7(14) . .
C6A O4 Dy1 89(3) . .
P2 O4P Dy1 134.9(3) . .
C16 O5 Cu2 125.3(6) . .
P2 O5P Dy3 174.3(4) . .
C16 O6 Dy2 139.8(5) . .
Dy2 O6P Cu2 92.90(18) . .
P2 O6P Dy2 161.6(3) . .
P2 O6P Cu2 105.4(3) . .
C11 O7 Dy2 92.4(5) . .
P3 O7P Dy2 168.6(3) . .
C11 O8 Dy2 95.2(5) . .
Dy3 O8P Cu3 93.02(17) . .
P3 O8P Dy3 161.4(3) . .
P3 O8P Cu3 105.5(3) . .
C21 O9 Dy3 95.4(6) . .
P3 O9P Dy3 135.1(3) . 4
C21 O10 Dy3 91.0(5) . .
C26 O11 Dy3 138.9(6) . .
C26 O12 Cu3 124.4(6) . .
Cu1 N1 H1A 108.3 . .
Cu1 N1 H1B 108.3 . .
H1A N1 H1B 107.4 . .
C1P N1 Cu1 115.9(6) . .
C1P N1 H1A 108.3 . .
C1P N1 H1B 108.3 . .
Cu2 N2 H2A 107.9 . .
Cu2 N2 H2B 107.9 . .
H2A N2 H2B 107.2 . .
C4P N2 Cu2 117.7(6) . .
C4P N2 H2A 107.9 . .
C4P N2 H2B 107.9 . .
Cu3 N3 H3A 108.3 . .
Cu3 N3 H3B 108.3 . .
H3A N3 H3B 107.4 . .
C7P N3 Cu3 116.0(5) . .
C7P N3 H3A 108.3 . .
C7P N3 H3B 108.3 . .
O1 C1 C2 118.4(9) . .
O2 C1 O1 123.8(8) . .
O2 C1 C2 117.7(10) . .
N1 C1P P1 107.2(6) . .
N1 C1P C2P 110.2(8) . .
N1 C1P C3P 109.0(8) . .
C2P C1P P1 110.7(7) . .
C3P C1P P1 110.2(7) . .
C3P C1P C2P 109.6(8) . .
C1 C2 C5 106.4(11) . .
C1 C2 C3A 103.4(15) . .
C3 C2 C1 106.6(9) . .
C3 C2 C5 104.6(12) . .
C4 C2 C1 114.1(10) . .
C4 C2 C3 118.3(14) . .
C4 C2 C5 105.7(12) . .
C4A C2 C1 109.3(15) . .
C4A C2 C3A 102.4(17) . .
C5A C2 C1 118(2) . .
C5A C2 C3A 102.7(19) . .
C5A C2 C4A 118(2) . .
C1P C2P H2PA 109.5 . .
C1P C2P H2PB 109.5 . .
C1P C2P H2PC 109.5 . .
H2PA C2P H2PB 109.5 . .
H2PA C2P H2PC 109.5 . .
H2PB C2P H2PC 109.5 . .
C1P C3P H3PA 109.5 . .
C1P C3P H3PB 109.5 . .
C1P C3P H3PC 109.5 . .
H3PA C3P H3PB 109.5 . .
H3PA C3P H3PC 109.5 . .
H3PB C3P H3PC 109.5 . .
N2 C4P P2 106.1(6) . .
N2 C4P C5P 108.7(7) . .
N2 C4P C6P 109.3(7) . .
C5P C4P P2 112.9(7) . .
C6P C4P P2 109.7(6) . .
C6P C4P C5P 110.0(8) . .
C4P C5P H5PA 109.5 . .
C4P C5P H5PB 109.5 . .
C4P C5P H5PC 109.5 . .
H5PA C5P H5PB 109.5 . .
H5PA C5P H5PC 109.5 . .
H5PB C5P H5PC 109.5 . .
C4P C6P H6PA 109.5 . .
C4P C6P H6PB 109.5 . .
C4P C6P H6PC 109.5 . .
H6PA C6P H6PB 109.5 . .
H6PA C6P H6PC 109.5 . .
H6PB C6P H6PC 109.5 . .
N3 C7P P3 105.9(5) . .
N3 C7P C8P 109.2(7) . .
C8P C7P P3 108.5(6) . .
C9P C7P P3 112.1(6) . .
C9P C7P N3 110.5(7) . .
C9P C7P C8P 110.5(7) . .
C7P C8P H8PA 109.5 . .
C7P C8P H8PB 109.5 . .
C7P C8P H8PC 109.5 . .
H8PA C8P H8PB 109.5 . .
H8PA C8P H8PC 109.5 . .
H8PB C8P H8PC 109.5 . .
C7P C9P H9PA 109.5 . .
C7P C9P H9PB 109.5 . .
C7P C9P H9PC 109.5 . .
H9PA C9P H9PB 109.5 . .
H9PA C9P H9PC 109.5 . .
H9PB C9P H9PC 109.5 . .
O7 C11 Dy2 61.5(4) . .
O7 C11 O8 119.2(8) . .
O7 C11 C12 121.9(8) . .
O8 C11 Dy2 58.0(4) . .
O8 C11 C12 119.0(8) . .
C12 C11 Dy2 174.2(7) . .
C11 C12 C14 109.2(9) . .
C13 C12 C11 110.7(10) . .
C13 C12 C14 107.6(11) . .
C13 C12 C15 113.2(11) . .
C15 C12 C11 108.7(10) . .
C15 C12 C14 107.4(11) . .
C13A C12 C11 105.5(15) . .
C14A C12 C11 107.0(18) . .
C14A C12 C13A 110.8(18) . .
C15A C12 C11 111.8(17) . .
C15A C12 C13A 109.4(19) . .
C15A C12 C14A 112.2(19) . .
O5 C16 O6 124.4(8) . .
O5 C16 C17 119.1(8) . .
O6 C16 C17 116.5(8) . .
C16 C17 C19 106.4(10) . .
C16 C17 C19A 113.3(14) . .
C18 C17 C16 108.2(10) . .
C18 C17 C19 111.0(12) . .
C18 C17 C20 119.1(13) . .
C20 C17 C16 110.4(10) . .
C20 C17 C19 100.9(11) . .
C18A C17 C16 110.7(14) . .
C18A C17 C19A 106.8(16) . .
C20A C17 C16 110.1(14) . .
C20A C17 C18A 111.2(16) . .
C20A C17 C19A 104.6(16) . .
O9 C21 Dy3 57.8(5) . .
O9 C21 O10 119.5(8) . .
O9 C21 C22 120.5(12) . .
O9 C21 C22A 115.0(12) . .
O10 C21 Dy3 62.1(5) . .
O10 C21 C22 119.6(12) . .
O10 C21 C22A 125.5(12) . .
C22 C21 Dy3 178.3(12) . .
C22A C21 Dy3 170.6(11) . .
O11 C26 O12 125.2(9) . .
O11 C26 C27 117.7(9) . .
O12 C26 C27 117.1(9) . .
C28 C27 C26 109.7(10) . .
C28 C27 C29 110.7(12) . .
C28 C27 C30 112.0(12) . .
C29 C27 C26 113.9(10) . .
C29 C27 C30 104.0(12) . .
C30 C27 C26 106.5(9) . .
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 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C2 C3 H3C 109.5 . .
C2 C3 H3D 109.5 . .
C2 C3 H3E 109.5 . .
H3C C3 H3D 109.5 . .
H3C C3 H3E 109.5 . .
H3D C3 H3E 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C5 H5A 109.5 . .
C2 C5 H5B 109.5 . .
C2 C5 H5C 109.5 . .
H5A C5 H5B 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O3 C6 Dy1 58.1(10) . .
O3 C6 C7 123(3) . .
O4 C6 Dy1 60.9(10) . .
O4 C6 O3 119.0(19) . .
O4 C6 C7 118(3) . .
C7 C6 Dy1 179(2) . .
C6 C7 C8 108(2) . .
C9 C7 C6 104(2) . .
C9 C7 C8 105.8(17) . .
C9 C7 C10 116.0(18) . .
C10 C7 C6 111.3(18) . .
C10 C7 C8 111(2) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
C17 C18 H18A 109.5 . .
H18B C18 H18C 109.5 . .
H18B C18 H18A 109.5 . .
H18C C18 H18A 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C21 C22 C23 114(2) . .
C21 C22 C24 107.1(19) . .
C23 C22 C24 111.0(19) . .
C25 C22 C21 109(2) . .
C25 C22 C23 110(2) . .
C25 C22 C24 105.2(18) . .
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 . .
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 . .
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 . .
C2 C3A H3AA 109.5 . .
C2 C3A H3AB 109.5 . .
C2 C3A H3AC 109.5 . .
H3AA C3A H3AB 109.5 . .
H3AA C3A H3AC 109.5 . .
H3AB C3A H3AC 109.5 . .
C2 C4A H4AA 109.5 . .
C2 C4A H4AB 109.5 . .
C2 C4A H4AC 109.5 . .
H4AA C4A H4AB 109.5 . .
H4AA C4A H4AC 109.5 . .
H4AB C4A H4AC 109.5 . .
C2 C5A H5AA 109.5 . .
C2 C5A H5AB 109.5 . .
C2 C5A H5AC 109.5 . .
H5AA C5A H5AB 109.5 . .
H5AA C5A H5AC 109.5 . .
H5AB C5A H5AC 109.5 . .
O3 C6A Dy1 60(2) . .
O3 C6A O4 123(4) . .
O3 C6A C7A 111(6) . .
O4 C6A Dy1 63(2) . .
O4 C6A C7A 125(6) . .
C7A C6A Dy1 170(5) . .
C6A C7A C8A 110(3) . .
C6A C7A C10A 107(7) . .
C8A C7A C10A 110(3) . .
C9A C7A C6A 110(3) . .
C9A C7A C8A 111(3) . .
C9A C7A C10A 109(3) . .
C7A C8A H8AA 109.5 . .
C7A C8A H8AB 109.5 . .
C7A C8A H8AC 109.5 . .
H8AA C8A H8AB 109.5 . .
H8AA C8A H8AC 109.5 . .
H8AB C8A H8AC 109.5 . .
C7A C9A H9AA 109.5 . .
C7A C9A H9AB 109.5 . .
C7A C9A H9AC 109.5 . .
H9AA C9A H9AB 109.5 . .
H9AA C9A H9AC 109.5 . .
H9AB C9A H9AC 109.5 . .
C7A C10A H10D 109.5 . .
C7A C10A H10E 109.5 . .
C7A C10A H10F 109.5 . .
H10D C10A H10E 109.5 . .
H10D C10A H10F 109.5 . .
H10E C10A H10F 109.5 . .
C12 C13A H13D 109.5 . .
C12 C13A H13E 109.5 . .
C12 C13A H13F 109.5 . .
H13D C13A H13E 109.5 . .
H13D C13A H13F 109.5 . .
H13E C13A H13F 109.5 . .
C12 C14A H14D 109.5 . .
C12 C14A H14E 109.5 . .
C12 C14A H14F 109.5 . .
H14D C14A H14E 109.5 . .
H14D C14A H14F 109.5 . .
H14E C14A H14F 109.5 . .
C12 C15A H15D 109.5 . .
C12 C15A H15E 109.5 . .
C12 C15A H15F 109.5 . .
H15D C15A H15E 109.5 . .
H15D C15A H15F 109.5 . .
H15E C15A H15F 109.5 . .
C17 C18A H18D 109.5 . .
C17 C18A H18F 109.5 . .
C17 C18A H18E 109.5 . .
H18D C18A H18F 109.5 . .
H18D C18A H18E 109.5 . .
H18F C18A H18E 109.5 . .
C17 C19A H19D 109.5 . .
C17 C19A H19E 109.5 . .
C17 C19A H19F 109.5 . .
H19D C19A H19E 109.5 . .
H19D C19A H19F 109.5 . .
H19E C19A H19F 109.5 . .
C17 C20A H20D 109.5 . .
C17 C20A H20E 109.5 . .
C17 C20A H20F 109.5 . .
H20D C20A H20E 109.5 . .
H20D C20A H20F 109.5 . .
H20E C20A H20F 109.5 . .
C23A C22A C21 106(2) . .
C23A C22A C24A 110.9(17) . .
C24A C22A C21 108.3(18) . .
C25A C22A C21 110.0(19) . .
C25A C22A C23A 112.7(18) . .
C25A C22A C24A 108.7(16) . .
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 . .
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 . .
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 . .
H4D N4 H4E 114(9) . .
C31 N4 H4D 97(7) . .
C31 N4 H4E 112(5) . .
N4 C31 H31 105.9 . .
C32 C31 N4 114.5(11) . .
C32 C31 H31 105.9 . .
C32 C31 C33 113.6(12) . .
C33 C31 N4 110.2(10) . .
C33 C31 H31 105.9 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33B 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Cu1 3.3853(11) .
Dy1 O1P 2.287(6) .
Dy1 O2 2.260(6) .
Dy1 O2OH 2.392(5) .
Dy1 O3 2.388(7) .
Dy1 O3P 2.224(5) .
Dy1 O4 2.449(7) .
Dy1 O4P 2.251(5) .
Dy1 C6 2.80(2) .
Dy1 C6A 2.75(6) .
Dy2 Cu2 3.3858(12) .
Dy2 O1OH 2.425(5) .
Dy2 O2P 2.247(5) .
Dy2 O6 2.281(5) .
Dy2 O6P 2.260(5) .
Dy2 O7 2.478(6) .
Dy2 O7P 2.252(5) .
Dy2 O8 2.399(6) .
Dy2 C11 2.817(9) .
Dy3 Cu3 3.3474(11) .
Dy3 O3OH 2.385(5) .
Dy3 O5P 2.205(5) .
Dy3 O8P 2.269(5) .
Dy3 O9 2.373(6) .
Dy3 O9P 2.268(5) 4
Dy3 O10 2.466(6) .
Dy3 O11 2.312(6) .
Dy3 C21 2.791(9) .
Cu1 Cu2 2.9826(16) .
Cu1 O1 1.971(6) .
Cu1 O1OH 2.024(5) .
Cu1 O1P 2.352(5) .
Cu1 O2OH 1.940(6) .
Cu1 N1 1.988(9) .
Cu2 O1OH 1.960(6) .
Cu2 O2OH 2.010(6) .
Cu2 O5 1.971(6) .
Cu2 O6P 2.409(5) .
Cu2 N2 1.984(8) .
Cu3 Cu3 2.953(2) 4
Cu3 O3OH 1.997(6) 4
Cu3 O3OH 1.962(6) .
Cu3 O8P 2.345(5) .
Cu3 O12 1.954(6) .
Cu3 N3 1.986(7) .
P1 O1P 1.524(6) .
P1 O2P 1.526(5) .
P1 O3P 1.502(6) 4
P1 C1P 1.833(9) .
P2 O4P 1.529(5) .
P2 O5P 1.499(6) .
P2 O6P 1.519(5) .
P2 C4P 1.822(10) .
P3 O7P 1.510(5) .
P3 O8P 1.531(5) .
P3 O9P 1.540(5) .
P3 C7P 1.831(8) .
O1 C1 1.264(12) .
O2 C1 1.261(12) .
O3 C6 1.26(4) .
O3 C6A 1.19(10) .
O3OH Cu3 1.997(6) 4
O3P P1 1.502(6) 4
O4 C6 1.25(4) .
O4 C6A 1.27(10) .
O5 C16 1.262(10) .
O6 C16 1.267(10) .
O7 C11 1.242(10) .
O8 C11 1.273(10) .
O9 C21 1.263(11) .
O9P Dy3 2.268(5) 4
O10 C21 1.264(11) .
O11 C26 1.248(11) .
O12 C26 1.253(11) .
N1 H1A 0.8900 .
N1 H1B 0.8900 .
N1 C1P 1.505(12) .
N2 H2A 0.8900 .
N2 H2B 0.8900 .
N2 C4P 1.505(11) .
N3 H3A 0.8900 .
N3 H3B 0.8900 .
N3 C7P 1.512(11) .
C1 C2 1.540(12) .
C1P C2P 1.536(15) .
C1P C3P 1.536(12) .
C2 C3 1.493(19) .
C2 C4 1.411(19) .
C2 C5 1.61(2) .
C2 C3A 1.567(13) .
C2 C4A 1.507(13) .
C2 C5A 1.506(13) .
C2P H2PA 0.9600 .
C2P H2PB 0.9600 .
C2P H2PC 0.9600 .
C3P H3PA 0.9600 .
C3P H3PB 0.9600 .
C3P H3PC 0.9600 .
C4P C5P 1.532(13) .
C4P C6P 1.514(13) .
C5P H5PA 0.9600 .
C5P H5PB 0.9600 .
C5P H5PC 0.9600 .
C6P H6PA 0.9600 .
C6P H6PB 0.9600 .
C6P H6PC 0.9600 .
C7P C8P 1.557(12) .
C7P C9P 1.506(12) .
C8P H8PA 0.9600 .
C8P H8PB 0.9600 .
C8P H8PC 0.9600 .
C9P H9PA 0.9600 .
C9P H9PB 0.9600 .
C9P H9PC 0.9600 .
C11 C12 1.526(12) .
C12 C13 1.497(18) .
C12 C14 1.574(17) .
C12 C15 1.51(2) .
C12 C13A 1.524(13) .
C12 C14A 1.514(13) .
C12 C15A 1.505(13) .
C16 C17 1.535(12) .
C17 C18 1.44(2) .
C17 C19 1.56(2) .
C17 C20 1.517(19) .
C17 C18A 1.520(13) .
C17 C19A 1.539(13) .
C17 C20A 1.517(13) .
C21 C22 1.51(3) .
C21 C22A 1.56(3) .
C26 C27 1.521(12) .
C27 C28 1.475(18) .
C27 C29 1.504(16) .
C27 C30 1.520(16) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C3 H3C 0.9600 .
C3 H3D 0.9600 .
C3 H3E 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C7 1.57(2) .
C7 C8 1.59(2) .
C7 C9 1.51(3) .
C7 C10 1.52(3) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C18 H18A 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C22 C23 1.522(13) .
C22 C24 1.531(13) .
C22 C25 1.510(13) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C3A H3AA 0.9600 .
C3A H3AB 0.9600 .
C3A H3AC 0.9600 .
C4A H4AA 0.9600 .
C4A H4AB 0.9600 .
C4A H4AC 0.9600 .
C5A H5AA 0.9600 .
C5A H5AB 0.9600 .
C5A H5AC 0.9600 .
C6A C7A 1.519(14) .
C7A C8A 1.520(12) .
C7A C9A 1.518(12) .
C7A C10A 1.524(14) .
C8A H8AA 0.9600 .
C8A H8AB 0.9600 .
C8A H8AC 0.9600 .
C9A H9AA 0.9600 .
C9A H9AB 0.9600 .
C9A H9AC 0.9600 .
C10A H10D 0.9600 .
C10A H10E 0.9600 .
C10A H10F 0.9600 .
C13A H13D 0.9600 .
C13A H13E 0.9600 .
C13A H13F 0.9600 .
C14A H14D 0.9600 .
C14A H14E 0.9600 .
C14A H14F 0.9600 .
C15A H15D 0.9600 .
C15A H15E 0.9600 .
C15A H15F 0.9600 .
C18A H18D 0.9600 .
C18A H18F 0.9600 .
C18A H18E 0.9600 .
C19A H19D 0.9600 .
C19A H19E 0.9600 .
C19A H19F 0.9600 .
C20A H20D 0.9600 .
C20A H20E 0.9600 .
C20A H20F 0.9600 .
C22A C23A 1.516(13) .
C22A C24A 1.521(13) .
C22A C25A 1.510(13) .
C23A H23D 0.9600 .
C23A H23E 0.9600 .
C23A H23F 0.9600 .
C24A H24D 0.9600 .
C24A H24E 0.9600 .
C24A H24F 0.9600 .
C25A H25D 0.9600 .
C25A H25E 0.9600 .
C25A H25F 0.9600 .
N4 H4D 0.78(10) .
N4 H4E 0.93(9) .
N4 C31 1.504(12) .
C31 H31 0.9800 .
C31 C32 1.398(17) .
C31 C33 1.481(17) .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
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 O2 C1 O1 -1(2) . .
Dy1 O2 C1 C2 175.2(8) . .
Dy1 O3 C6 O4 2(4) . .
Dy1 O3 C6 C7 180(4) . .
Dy1 O3 C6A O4 3(14) . .
Dy1 O3 C6A C7A -174(8) . .
Dy1 O4 C6 O3 -1(4) . .
Dy1 O4 C6 C7 -180(3) . .
Dy1 O4 C6A O3 -3(13) . .
Dy1 O4 C6A C7A 174(11) . .
Dy1 C6A C7A C8A 23(55) . .
Dy1 C6A C7A C9A 146(52) . .
Dy1 C6A C7A C10A -97(54) . .
Dy2 O6 C16 O5 -12.6(15) . .
Dy2 O6 C16 C17 168.2(6) . .
Dy2 O7 C11 O8 -6.6(9) . .
Dy2 O7 C11 C12 174.5(8) . .
Dy2 O8 C11 O7 6.8(9) . .
Dy2 O8 C11 C12 -174.2(8) . .
Dy3 O9 C21 O10 7.6(10) . .
Dy3 O9 C21 C22 -179.8(13) . .
Dy3 O9 C21 C22A -173.1(11) . .
Dy3 O10 C21 O9 -7.2(10) . .
Dy3 O10 C21 C22 -179.9(13) . .
Dy3 O10 C21 C22A 173.5(13) . .
Dy3 O11 C26 O12 -12.7(16) . .
Dy3 O11 C26 C27 167.9(7) . .
Cu1 O1 C1 O2 -4.2(19) . .
Cu1 O1 C1 C2 179.4(8) . .
Cu1 N1 C1P P1 36.6(8) . .
Cu1 N1 C1P C2P 157.2(6) . .
Cu1 N1 C1P C3P -82.6(8) . .
Cu2 O5 C16 O6 -1.2(13) . .
Cu2 O5 C16 C17 177.9(6) . .
Cu2 N2 C4P P2 40.4(7) . .
Cu2 N2 C4P C5P 162.0(7) . .
Cu2 N2 C4P C6P -77.9(9) . .
Cu3 O12 C26 O11 0.0(14) . .
Cu3 O12 C26 C27 179.4(7) . .
Cu3 N3 C7P P3 39.6(7) . .
Cu3 N3 C7P C8P -77.2(7) . .
Cu3 N3 C7P C9P 161.1(6) . .
O1 C1 C2 C3 -133.3(14) . .
O1 C1 C2 C4 -1(2) . .
O1 C1 C2 C5 115.4(14) . .
O1 C1 C2 C3A -46.5(19) . .
O1 C1 C2 C4A 62(2) . .
O1 C1 C2 C5A -159(2) . .
O1P P1 O2P Dy2 15.3(5) . .
O1P P1 C1P N1 -50.4(7) . .
O1P P1 C1P C2P -170.6(6) . .
O1P P1 C1P C3P 68.0(8) . .
O2 C1 C2 C3 50.1(18) . .
O2 C1 C2 C4 -177.4(14) . .
O2 C1 C2 C5 -61.1(14) . .
O2 C1 C2 C3A 136.9(18) . .
O2 C1 C2 C4A -115(2) . .
O2 C1 C2 C5A 24(3) . .
O2P P1 O1P Dy1 97.8(10) . .
O2P P1 O1P Cu1 -76.8(3) . .
O2P P1 C1P N1 67.0(7) . .
O2P P1 C1P C2P -53.2(7) . .
O2P P1 C1P C3P -174.5(7) . .
O3 C6 C7 C8 -26(5) . .
O3 C6 C7 C9 86(4) . .
O3 C6 C7 C10 -149(4) . .
O3 C6A C7A C8A 53(12) . .
O3 C6A C7A C9A 176(9) . .
O3 C6A C7A C10A -66(11) . .
O3P P1 O1P Dy1 -29.0(11) 4 .
O3P P1 O1P Cu1 156.4(3) 4 .
O3P P1 O2P Dy2 143.7(4) 4 .
O3P P1 C1P N1 -173.1(6) 4 .
O3P P1 C1P C2P 66.7(7) 4 .
O3P P1 C1P C3P -54.6(9) 4 .
O4 C6 C7 C8 152(3) . .
O4 C6 C7 C9 -96(4) . .
O4 C6 C7 C10 30(5) . .
O4 C6A C7A C8A -124(11) . .
O4 C6A C7A C9A -1(14) . .
O4 C6A C7A C10A 117(12) . .
O4P P2 O6P Dy2 106.7(10) . .
O4P P2 O6P Cu2 -78.9(3) . .
O4P P2 C4P N2 67.0(6) . .
O4P P2 C4P C5P -52.0(7) . .
O4P P2 C4P C6P -175.1(6) . .
O5 C16 C17 C18 -111.2(12) . .
O5 C16 C17 C19 129.4(11) . .
O5 C16 C17 C20 20.8(15) . .
O5 C16 C17 C18A -40.7(17) . .
O5 C16 C17 C19A -160.7(16) . .
O5 C16 C17 C20A 82.6(17) . .
O5P P2 O4P Dy1 146.9(4) . .
O5P P2 O6P Dy2 -19.6(12) . .
O5P P2 O6P Cu2 154.7(3) . .
O5P P2 C4P N2 -173.4(5) . .
O5P P2 C4P C5P 67.6(7) . .
O5P P2 C4P C6P -55.4(7) . .
O6 C16 C17 C18 68.0(13) . .
O6 C16 C17 C19 -51.4(13) . .
O6 C16 C17 C20 -160.0(11) . .
O6 C16 C17 C18A 138.5(15) . .
O6 C16 C17 C19A 18.5(18) . .
O6 C16 C17 C20A -98.2(17) . .
O6P P2 O4P Dy1 19.0(6) . .
O6P P2 C4P N2 -51.5(6) . .
O6P P2 C4P C5P -170.5(6) . .
O6P P2 C4P C6P 66.5(7) . .
O7 C11 C12 C13 -33.4(15) . .
O7 C11 C12 C14 -151.6(11) . .
O7 C11 C12 C15 91.5(13) . .
O7 C11 C12 C13A 43(2) . .
O7 C11 C12 C14A -75(2) . .
O7 C11 C12 C15A 161.8(19) . .
O7P P3 O8P Dy3 -19.2(11) . .
O7P P3 O8P Cu3 156.3(2) . .
O7P P3 O9P Dy3 144.1(4) . 4
O7P P3 C7P N3 -174.3(5) . .
O7P P3 C7P C8P -57.1(7) . .
O7P P3 C7P C9P 65.1(7) . .
O8 C11 C12 C13 147.7(11) . .
O8 C11 C12 C14 29.5(14) . .
O8 C11 C12 C15 -87.4(12) . .
O8 C11 C12 C13A -136.0(18) . .
O8 C11 C12 C14A 106.0(19) . .
O8 C11 C12 C15A -17(2) . .
O8P P3 O7P Dy2 -68.7(17) . .
O8P P3 O9P Dy3 14.9(5) . 4
O8P P3 C7P N3 -51.9(6) . .
O8P P3 C7P C8P 65.3(6) . .
O8P P3 C7P C9P -172.4(6) . .
O9 C21 C22 C23 161.1(18) . .
O9 C21 C22 C24 -76(2) . .
O9 C21 C22 C25 37(2) . .
O9 C21 C22A C23A -173.9(16) . .
O9 C21 C22A C24A -54.8(19) . .
O9 C21 C22A C25A 64(2) . .
O9P P3 O7P Dy2 163.8(15) . .
O9P P3 O8P Dy3 108.4(10) . .
O9P P3 O8P Cu3 -76.1(3) . .
O9P P3 C7P N3 66.0(6) . .
O9P P3 C7P C8P -176.8(6) . .
O9P P3 C7P C9P -54.5(7) . .
O10 C21 C22 C23 -26(3) . .
O10 C21 C22 C24 97(2) . .
O10 C21 C22 C25 -150.0(18) . .
O10 C21 C22A C23A 5(2) . .
O10 C21 C22A C24A 124.4(18) . .
O10 C21 C22A C25A -117(2) . .
O11 C26 C27 C28 -54.8(14) . .
O11 C26 C27 C29 -179.4(11) . .
O11 C26 C27 C30 66.6(13) . .
O12 C26 C27 C28 125.8(12) . .
O12 C26 C27 C29 1.2(16) . .
O12 C26 C27 C30 -112.8(11) . .
C1P P1 O1P Dy1 -147.5(9) . .
C1P P1 O1P Cu1 37.9(4) . .
C1P P1 O2P Dy2 -98.6(5) . .
C4P P2 O4P Dy1 -95.8(6) . .
C4P P2 O6P Dy2 -137.1(10) . .
C4P P2 O6P Cu2 37.3(4) . .
C7P P3 O7P Dy2 47.7(17) . .
C7P P3 O8P Dy3 -137.3(9) . .
C7P P3 O8P Cu3 38.2(4) . .
C7P P3 O9P Dy3 -98.7(5) . 4
