#------------------------------------------------------------------------------
#$Date: 2015-06-12 03:00:05 +0300 (Fri, 12 Jun 2015) $
#$Revision: 139093 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/32/4343294.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_4343294
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 Gd6 N6 O48 P6, 2(C3 H9 N)'
_chemical_formula_sum            'C84 H174 Cu6 Gd6 N8 O48 P6'
_chemical_formula_weight         3574.86
_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                   35.8449(3)
_cell_length_b                   39.1793(4)
_cell_length_c                   45.6982(4)
_cell_measurement_reflns_used    78922
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      28.8460
_cell_measurement_theta_min      1.6550
_cell_volume                     64177.6(10)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
  1 omega    2.20  182.01   0.2997    9.9860
omega____ theta____ kappa____ phi______ frames
    -       28.0000   73.8962  -25.8019 600

  2 omega    2.20  182.01   0.2997    9.9860
omega____ theta____ kappa____ phi______ frames
    -       28.0000   73.8962   94.1981 600

  3 omega    2.20  182.01   0.2997    9.9860
omega____ theta____ kappa____ phi______ frames
    -       28.0000   73.8962 -145.8038 600
;
_diffrn_measurement_device_type
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0173252000
_diffrn_orient_matrix_UB_12      -0.0019783000
_diffrn_orient_matrix_UB_13      0.0073037000
_diffrn_orient_matrix_UB_21      -0.0054181000
_diffrn_orient_matrix_UB_22      -0.0124869000
_diffrn_orient_matrix_UB_23      -0.0104025000
_diffrn_orient_matrix_UB_31      0.0078846000
_diffrn_orient_matrix_UB_32      -0.0129675000
_diffrn_orient_matrix_UB_33      0.0088977000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       57
_diffrn_reflns_limit_l_min       -57
_diffrn_reflns_number            126015
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         2.654
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.344
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81188
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
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    1.480
_exptl_crystal_description       block
_exptl_crystal_F_000             28256
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.913
_refine_diff_density_min         -1.389
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     770
_refine_ls_number_reflns         16412
_refine_ls_number_restraints     384
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0580
_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)+(0.0505P)²+2558.5537P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1357
_refine_ls_wR_factor_ref         0.1403
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14370
_reflns_number_total             16412
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b00649_si_005.cif
_cod_data_source_block           Cu6Gd6P6
_cod_original_cell_volume        64177.5(10)
_cod_database_code               4343294
_shelxl_version_number           2014/6
_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 1.2 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
 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
 C5-C2 = C2-C4
 1.52 with sigma of 0.02
 C15A-C12 = C12-C14A
 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
 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
 C25A-C22 = C22-C21
 1.52 with sigma of 0.02
 C23A-C22 = C22-C21
 1.52 with sigma of 0.02
 C24A-C22 = C22-C21
 1.52 with sigma of 0.02
 C25A-C22 = C22-C24A
 1.52 with sigma of 0.02
 C24A-C22 = C22-C23A
 1.52 with sigma of 0.02
 C23A-C22 = C22-C25A
 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
 C25-C22 = C22-C23
 1.52 with sigma of 0.02
 C8-C7 = C7-C10
 1.52 with sigma of 0.02
 C8A-C7A = C7A-C10A
 1.52 with sigma of 0.02
 C10A-C7A = C7A-C6
 1.52 with sigma of 0.02
 C10A-C7A = C7A-C9A
 1.52 with sigma of 0.02
 C8A-C7A = C7A-C9A
 1.52 with sigma of 0.02
 C9-C7 = C7-C10
 1.52 with sigma of 0.02
 C8-C7 = C7-C9
 1.52 with sigma of 0.02
 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
 C5-C4
 2.483 with sigma of 0.04
 C15A-C14A
 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
 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
 C25A-C21
 2.483 with sigma of 0.04
 C23A-C21
 2.483 with sigma of 0.04
 C24A-C21
 2.483 with sigma of 0.04
 C25A-C24A
 2.483 with sigma of 0.04
 C24A-C23A
 2.483 with sigma of 0.04
 C23A-C25A
 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
 C25-C23
 2.483 with sigma of 0.04
 C8-C10
 2.483 with sigma of 0.04
 C8A-C10A
 2.483 with sigma of 0.04
 C10A-C6
 2.483 with sigma of 0.04
 C10A-C9A
 2.483 with sigma of 0.04
 C8A-C9A
 2.483 with sigma of 0.04
 C9-C10
 2.483 with sigma of 0.04
 C8-C9
 2.483 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C18) \\sim Ueq, Uanis(C20) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C7) = Uanis(C7A)
Uanis(C17) = Uanis(C27)
Uanis(C4) = Uanis(C5)
Uanis(C5) = Uanis(C5A)
Uanis(C3) = Uanis(C3A)
Uanis(C4) = Uanis(C4A)
Uanis(C13) = Uanis(C13A)
Uanis(C15) = Uanis(C15A)
Uanis(C14) = Uanis(C14A)
Uanis(C18) = Uanis(C18A)
Uanis(C20) = Uanis(C20A)
Uanis(C19) = Uanis(C19A)
Uanis(C23) = Uanis(C23A)
Uanis(C24) = Uanis(C24A)
Uanis(C25) = Uanis(C25A)
Uanis(C8) = Uanis(C8A)
Uanis(C10) = Uanis(C10A)
Uanis(C9) = Uanis(C9A)
4. Rigid body (RIGU) restrains
 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
 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
 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
 C21, C22, C23, C24, C25, C23A, C24A, C25A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C6, C7, C8, C9, C10, 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(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(1)
 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(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(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(3)
 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(3)
 Sof(C18A)=Sof(H18D)=Sof(H18E)=Sof(H18F)=Sof(C19A)=Sof(H19D)=Sof(H19E)=
 Sof(H19F)=Sof(C20A)=Sof(H20D)=Sof(H20E)=Sof(H20F)=1-FVAR(4)
 Sof(C18)=Sof(H18A)=Sof(H18B)=Sof(H18C)=Sof(C19)=Sof(H19A)=Sof(H19B)=Sof(H19C)=
 Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=FVAR(4)
 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(5)
 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(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), C3A(H3AA,H3AB,H3AC), C4(H4A,H4B,H4C), C4A(H4AA,H4AB,H4AC),
 C5(H5A,H5B,H5C), C5A(H5AA,H5AB,H5AC), C8(H8A,H8B,H8C), C8A(H8AA,H8AB,H8AC),
 C9(H9A,H9B,H9C), C9A(H9AA,H9AB,H9AC), C10(H10A,H10B,H10C), C10A(H10D,H10E,
 H10F), C13(H13A,H13B,H13C), C13A(H13D,H13E,H13F), C14(H14A,H14B,H14C),
 C14A(H14D,H14E,H14F), C15(H15A,H15B,H15C), C15A(H15D,H15E,H15F), C18(H18A,H18B,
 H18C), C18A(H18D,H18E,H18F), C19(H19A,H19B,H19C), C19A(H19D,H19E,H19F),
 C20(H20A,H20B,H20C), C20A(H20D,H20E,H20F), C23(H23A,H23B,H23C), C23A(H23D,H23E,
 H23F), C24(H24A,H24B,H24C), C24A(H24D,H24E,H24F), C25(H25A,H25B,H25C),
 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)
;
_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
Gd1 Gd 0.20618(2) 0.80413(2) 0.13080(2) 0.03677(11) Uani 1 1 d . . . . .
Gd2 Gd 0.18096(2) 0.87803(2) 0.03942(2) 0.02821(9) Uani 1 1 d . . . . .
Gd3 Gd 0.19623(2) 0.97539(2) 0.13564(2) 0.02621(9) Uani 1 1 d . . . . .
Cu1 Cu 0.20955(3) 0.78182(2) 0.05866(2) 0.0447(3) Uani 1 1 d . . . . .
Cu2 Cu 0.26201(3) 0.84083(2) 0.06265(2) 0.0413(2) Uani 1 1 d . . . . .
Cu3 Cu 0.14348(3) 1.02971(2) 0.09606(2) 0.0360(2) Uani 1 1 d . . . . .
P1 P 0.13042(6) 0.81074(5) 0.07339(4) 0.0334(4) Uani 1 1 d . . . . .
P2 P 0.22832(5) 0.88902(5) 0.11218(4) 0.0296(4) Uani 1 1 d . . . . .
P3 P 0.13350(5) 0.95556(4) 0.07130(4) 0.0246(4) Uani 1 1 d . . . . .
O1 O 0.2113(2) 0.73476(14) 0.07518(15) 0.062(2) Uani 1 1 d . . . . .
O1OH O 0.21976(17) 0.82641(12) 0.03823(11) 0.0383(13) Uani 1 1 d . . . . .
O1P O 0.16499(16) 0.80482(12) 0.09168(10) 0.0346(12) Uani 1 1 d . . . . .
O2 O 0.2074(2) 0.74672(15) 0.12283(15) 0.066(2) Uani 1 1 d . . . . .
O2OH O 0.24415(17) 0.80148(14) 0.08681(12) 0.0427(14) Uani 1 1 d . . . . .
O2P O 0.13407(15) 0.84287(13) 0.05464(11) 0.0331(11) Uani 1 1 d . . . . .
O3 O 0.2325(2) 0.7953(2) 0.17895(16) 0.083(3) Uani 1 1 d . . . . .
O3OH O 0.15816(14) 1.02630(13) 0.13755(12) 0.0364(12) Uani 1 1 d . . . . .
O3P O 0.15575(16) 0.81174(13) 0.15922(11) 0.0379(12) Uani 1 1 d . . . . .
O4 O 0.27293(19) 0.79957(17) 0.14370(13) 0.0537(16) Uani 1 1 d . . . . .
O4P O 0.21965(16) 0.86085(13) 0.13431(11) 0.0385(13) Uani 1 1 d . . . . .
O5 O 0.28570(16) 0.86936(15) 0.03216(13) 0.0443(14) Uani 1 1 d . . . . .
O5P O 0.21383(14) 0.92306(13) 0.12252(11) 0.0318(11) Uani 1 1 d . . . . .
O6 O 0.23508(15) 0.89917(13) 0.01967(11) 0.0356(12) Uani 1 1 d . . . . .
O6P O 0.21509(14) 0.87900(12) 0.08178(11) 0.0304(11) Uani 1 1 d . . . . .
O7 O 0.17232(18) 0.85272(14) -0.01014(12) 0.0435(14) Uani 1 1 d . . . . .
O7P O 0.14846(13) 0.92228(12) 0.05978(10) 0.0278(10) Uani 1 1 d . . . . .
O8 O 0.15368(18) 0.90515(16) -0.00342(12) 0.0487(15) Uani 1 1 d . . . . .
O8P O 0.15511(13) 0.97071(11) 0.09695(10) 0.0254(10) Uani 1 1 d . . . . .
O9 O 0.25633(17) 0.97094(18) 0.15874(15) 0.0564(18) Uani 1 1 d . . . . .
O9P O 0.09182(13) 0.95307(12) 0.07872(10) 0.0281(10) Uani 1 1 d . . . . .
O10 O 0.22156(16) 1.01267(15) 0.17487(12) 0.0424(13) Uani 1 1 d . . . . .
O11 O 0.22772(16) 1.01169(14) 0.10340(13) 0.0432(14) Uani 1 1 d . . . . .
O12 O 0.19024(17) 1.05016(14) 0.08252(15) 0.0487(15) Uani 1 1 d . . . . .
N1 N 0.1658(2) 0.77148(18) 0.03323(15) 0.052(2) Uani 1 1 d . . . . .
H1A H 0.1664 0.7858 0.0175 0.062 Uiso 1 1 calc R . . . .
H1B H 0.1683 0.7498 0.0263 0.062 Uiso 1 1 calc R . . . .
N2 N 0.2925(2) 0.8595(2) 0.09554(17) 0.0490(18) Uani 1 1 d . . . . .
H2A H 0.2937 0.8433 0.1098 0.059 Uiso 1 1 calc R . . . .
H2B H 0.3161 0.8628 0.0889 0.059 Uiso 1 1 calc R . . . .
N3 N 0.1253(2) 1.02082(17) 0.05526(15) 0.0445(17) Uani 1 1 d . . . . .
H3A H 0.0999 1.0215 0.0554 0.053 Uiso 1 1 calc R . . . .
H3B H 0.1333 1.0381 0.0435 0.053 Uiso 1 1 calc R . . . .
C1 C 0.2097(3) 0.7264(2) 0.1020(2) 0.065(3) Uani 1 1 d . . . . .
C1P C 0.1278(3) 0.7746(2) 0.04755(18) 0.048(2) Uani 1 1 d . . . . .
C2 C 0.2102(3) 0.6882(2) 0.1093(2) 0.066(2) Uani 1 1 d D . . . .
C2P C 0.0976(3) 0.7806(3) 0.0249(2) 0.060(3) Uani 1 1 d . . . . .
H2PA H 0.0734 0.7824 0.0346 0.090 Uiso 1 1 calc GR . . . .
H2PB H 0.0972 0.7615 0.0111 0.090 Uiso 1 1 calc GR . . . .
H2PC H 0.1028 0.8019 0.0143 0.090 Uiso 1 1 calc GR . . . .
C3 C 0.1797(5) 0.6809(3) 0.1306(3) 0.065(3) Uani 0.757(13) 1 d . . P A 1
H3C H 0.1817 0.6967 0.1472 0.098 Uiso 0.757(13) 1 calc R . P A 1
H3D H 0.1555 0.6840 0.1210 0.098 Uiso 0.757(13) 1 calc R . P A 1
H3E H 0.1820 0.6574 0.1376 0.098 Uiso 0.757(13) 1 calc R . P A 1
C3A C 0.1829(9) 0.6726(8) 0.0864(7) 0.065(3) Uani 0.243(13) 1 d D . P A 2
H3AA H 0.1913 0.6785 0.0666 0.098 Uiso 0.243(13) 1 calc R . P A 2
H3AB H 0.1825 0.6477 0.0885 0.098 Uiso 0.243(13) 1 calc R . P A 2
H3AC H 0.1578 0.6817 0.0896 0.098 Uiso 0.243(13) 1 calc R . P A 2
C3P C 0.1192(3) 0.7417(2) 0.0649(2) 0.063(3) Uani 1 1 d . . . . .
H3PA H 0.1374 0.7392 0.0808 0.094 Uiso 1 1 calc GR . . . .
H3PB H 0.1208 0.7220 0.0518 0.094 Uiso 1 1 calc GR . . . .
H3PC H 0.0940 0.7432 0.0732 0.094 Uiso 1 1 calc GR . . . .
C4 C 0.2107(5) 0.6663(3) 0.0831(3) 0.078(3) Uani 0.757(13) 1 d D . P A 1
H4A H 0.2316 0.6729 0.0705 0.117 Uiso 0.757(13) 1 calc R . P A 1
H4B H 0.2137 0.6424 0.0890 0.117 Uiso 0.757(13) 1 calc R . P A 1
H4C H 0.1872 0.6690 0.0724 0.117 Uiso 0.757(13) 1 calc R . P A 1
C4A C 0.2474(7) 0.6736(10) 0.1002(10) 0.078(3) Uani 0.243(13) 1 d D . P A 2
H4AA H 0.2548 0.6834 0.0813 0.117 Uiso 0.243(13) 1 calc R . P A 2
H4AB H 0.2662 0.6792 0.1150 0.117 Uiso 0.243(13) 1 calc R . P A 2
H4AC H 0.2453 0.6487 0.0984 0.117 Uiso 0.243(13) 1 calc R . P A 2
C4P C 0.2794(2) 0.8921(2) 0.10925(19) 0.0413(19) Uani 1 1 d . . . . .
C5 C 0.2476(4) 0.6819(3) 0.1267(3) 0.078(3) Uani 0.757(13) 1 d D . P A 1
H5A H 0.2479 0.6963 0.1442 0.117 Uiso 0.757(13) 1 calc R . P A 1
H5B H 0.2491 0.6578 0.1324 0.117 Uiso 0.757(13) 1 calc R . P A 1
H5C H 0.2689 0.6877 0.1142 0.117 Uiso 0.757(13) 1 calc R . P A 1
C5A C 0.1933(13) 0.6767(13) 0.1378(6) 0.078(3) Uani 0.243(13) 1 d D . P A 2
H5AA H 0.1694 0.6883 0.1408 0.117 Uiso 0.243(13) 1 calc R . P A 2
H5AB H 0.1894 0.6520 0.1373 0.117 Uiso 0.243(13) 1 calc R . P A 2
H5AC H 0.2103 0.6824 0.1539 0.117 Uiso 0.243(13) 1 calc R . P A 2
C5P C 0.2977(3) 0.8964(3) 0.1390(2) 0.060(3) Uani 1 1 d . . . . .
H5PA H 0.2915 0.9189 0.1470 0.089 Uiso 1 1 calc GR . . . .
H5PB H 0.3248 0.8944 0.1369 0.089 Uiso 1 1 calc GR . . . .
H5PC H 0.2886 0.8786 0.1523 0.089 Uiso 1 1 calc GR . . . .
C6 C 0.2661(4) 0.7951(4) 0.1700(2) 0.083(3) Uani 1 1 d D . . . .
C6P C 0.2889(2) 0.9224(2) 0.0891(2) 0.047(2) Uani 1 1 d . . . . .
H6PA H 0.2756 0.9198 0.0705 0.071 Uiso 1 1 calc GR . . . .
H6PB H 0.3158 0.9228 0.0854 0.071 Uiso 1 1 calc GR . . . .
H6PC H 0.2812 0.9437 0.0985 0.071 Uiso 1 1 calc GR . . . .
C7 C 0.3016(6) 0.7935(5) 0.1914(4) 0.098(4) Uani 0.66(2) 1 d D . P B 1
C7A C 0.2905(9) 0.7846(9) 0.1956(6) 0.098(4) Uani 0.34(2) 1 d D . P B 2
C7P C 0.1373(2) 0.9877(2) 0.04193(17) 0.0381(18) Uani 1 1 d . . . . .
C8 C 0.2927(8) 0.8088(8) 0.2212(4) 0.104(5) Uani 0.66(2) 1 d D . P B 1
H8A H 0.2698 0.7985 0.2289 0.156 Uiso 0.66(2) 1 calc R . P B 1
H8B H 0.3133 0.8043 0.2347 0.156 Uiso 0.66(2) 1 calc R . P B 1
H8C H 0.2892 0.8335 0.2192 0.156 Uiso 0.66(2) 1 calc R . P B 1
C8A C 0.2811(13) 0.7486(9) 0.2056(9) 0.104(5) Uani 0.34(2) 1 d D . P B 2
H8AA H 0.2972 0.7423 0.2221 0.156 Uiso 0.34(2) 1 calc R . P B 2
H8AB H 0.2549 0.7476 0.2117 0.156 Uiso 0.34(2) 1 calc R . P B 2
H8AC H 0.2852 0.7326 0.1894 0.156 Uiso 0.34(2) 1 calc R . P B 2
C8P C 0.1783(3) 0.9901(2) 0.0325(2) 0.051(2) Uani 1 1 d . . . . .
H8PA H 0.1942 0.9917 0.0499 0.076 Uiso 1 1 calc GR . . . .
H8PB H 0.1818 1.0105 0.0203 0.076 Uiso 1 1 calc GR . . . .
H8PC H 0.1850 0.9697 0.0212 0.076 Uiso 1 1 calc GR . . . .
C9 C 0.3062(7) 0.7551(5) 0.1944(5) 0.105(5) Uani 0.66(2) 1 d D . P B 1
H9A H 0.2832 0.7452 0.2021 0.157 Uiso 0.66(2) 1 calc R . P B 1
H9B H 0.3117 0.7452 0.1752 0.157 Uiso 0.66(2) 1 calc R . P B 1
H9C H 0.3269 0.7503 0.2078 0.157 Uiso 0.66(2) 1 calc R . P B 1
C9A C 0.3295(10) 0.7871(13) 0.1829(9) 0.105(5) Uani 0.34(2) 1 d D . P B 2
H9AA H 0.3478 0.7807 0.1978 0.157 Uiso 0.34(2) 1 calc R . P B 2
H9AB H 0.3317 0.7717 0.1661 0.157 Uiso 0.34(2) 1 calc R . P B 2
H9AC H 0.3342 0.8106 0.1765 0.157 Uiso 0.34(2) 1 calc R . P B 2
C9P C 0.1125(3) 0.9787(2) 0.01591(18) 0.051(2) Uani 1 1 d . . . . .
H9PA H 0.1203 0.9567 0.0077 0.077 Uiso 1 1 calc GR . . . .
H9PB H 0.1148 0.9965 0.0009 0.077 Uiso 1 1 calc GR . . . .
H9PC H 0.0865 0.9772 0.0224 0.077 Uiso 1 1 calc GR . . . .
C10 C 0.3369(6) 0.8094(7) 0.1794(5) 0.104(5) Uani 0.66(2) 1 d D . P B 1
H10A H 0.3335 0.8341 0.1776 0.157 Uiso 0.66(2) 1 calc R . P B 1
H10B H 0.3576 0.8047 0.1928 0.157 Uiso 0.66(2) 1 calc R . P B 1
H10C H 0.3424 0.7996 0.1602 0.157 Uiso 0.66(2) 1 calc R . P B 1
C10A C 0.2838(15) 0.8103(12) 0.2200(8) 0.104(5) Uani 0.34(2) 1 d D . P B 2
H10D H 0.2992 0.8043 0.2369 0.157 Uiso 0.34(2) 1 calc R . P B 2
H10E H 0.2906 0.8332 0.2131 0.157 Uiso 0.34(2) 1 calc R . P B 2
H10F H 0.2574 0.8100 0.2255 0.157 Uiso 0.34(2) 1 calc R . P B 2
C11 C 0.1590(2) 0.8799(2) -0.01997(17) 0.0418(19) Uani 1 1 d . . . . .
C12 C 0.1505(3) 0.8831(3) -0.05291(18) 0.057(2) Uani 1 1 d D . . . .
C13 C 0.1766(5) 0.8642(5) -0.0714(3) 0.068(3) Uani 0.730(10) 1 d . . P C 1
H13A H 0.2022 0.8717 -0.0672 0.102 Uiso 0.730(10) 1 calc R . P C 1
H13B H 0.1744 0.8397 -0.0672 0.102 Uiso 0.730(10) 1 calc R . P C 1
H13C H 0.1708 0.8684 -0.0920 0.102 Uiso 0.730(10) 1 calc R . P C 1
C13A C 0.1350(10) 0.8479(6) -0.0606(7) 0.068(3) Uani 0.270(10) 1 d D . P C 2
H13D H 0.1542 0.8306 -0.0572 0.102 Uiso 0.270(10) 1 calc R . P C 2
H13E H 0.1132 0.8430 -0.0483 0.102 Uiso 0.270(10) 1 calc R . P C 2
H13F H 0.1276 0.8475 -0.0813 0.102 Uiso 0.270(10) 1 calc R . P C 2
C14 C 0.1544(5) 0.9227(4) -0.0619(3) 0.067(3) Uani 0.730(10) 1 d . . P C 1
H14A H 0.1373 0.9365 -0.0501 0.101 Uiso 0.730(10) 1 calc R . P C 1
H14B H 0.1801 0.9304 -0.0586 0.101 Uiso 0.730(10) 1 calc R . P C 1
H14C H 0.1482 0.9255 -0.0827 0.101 Uiso 0.730(10) 1 calc R . P C 1
C14A C 0.1870(6) 0.8885(10) -0.0686(8) 0.067(3) Uani 0.270(10) 1 d D . P C 2
H14D H 0.2040 0.8696 -0.0640 0.101 Uiso 0.270(10) 1 calc R . P C 2
H14E H 0.1826 0.8893 -0.0897 0.101 Uiso 0.270(10) 1 calc R . P C 2
H14F H 0.1982 0.9101 -0.0622 0.101 Uiso 0.270(10) 1 calc R . P C 2
C15 C 0.1098(4) 0.8734(5) -0.0575(3) 0.069(3) Uani 0.730(10) 1 d . U P C 1
H15A H 0.0940 0.8870 -0.0445 0.103 Uiso 0.730(10) 1 calc R . P C 1
H15B H 0.1028 0.8778 -0.0779 0.103 Uiso 0.730(10) 1 calc R . P C 1
H15C H 0.1064 0.8491 -0.0531 0.103 Uiso 0.730(10) 1 calc R . P C 1
C15A C 0.1217(8) 0.9104(8) -0.0580(8) 0.069(3) Uani 0.270(10) 1 d D . P C 2
H15D H 0.0990 0.9048 -0.0470 0.103 Uiso 0.270(10) 1 calc R . P C 2
H15E H 0.1314 0.9325 -0.0513 0.103 Uiso 0.270(10) 1 calc R . P C 2
H15F H 0.1158 0.9117 -0.0789 0.103 Uiso 0.270(10) 1 calc R . P C 2
C16 C 0.2697(2) 0.8919(2) 0.01743(18) 0.0405(18) Uani 1 1 d . . . . .
C17 C 0.2920(3) 0.9128(3) -0.0049(2) 0.0605(17) Uani 1 1 d D . . . .
C18 C 0.2928(5) 0.9485(4) 0.0055(4) 0.075(3) Uani 0.739(11) 1 d . U P D 1
H18A H 0.3060 0.9496 0.0242 0.112 Uiso 0.739(11) 1 calc R . P D 1
H18B H 0.3058 0.9627 -0.0089 0.112 Uiso 0.739(11) 1 calc R . P D 1
H18C H 0.2672 0.9568 0.0080 0.112 Uiso 0.739(11) 1 calc R . P D 1
C18A C 0.3249(9) 0.9293(10) 0.0112(8) 0.075(3) Uani 0.261(11) 1 d D . P D 2
H18D H 0.3155 0.9434 0.0273 0.112 Uiso 0.261(11) 1 calc R . P D 2
H18E H 0.3413 0.9115 0.0190 0.112 Uiso 0.261(11) 1 calc R . P D 2
H18F H 0.3390 0.9437 -0.0025 0.112 Uiso 0.261(11) 1 calc R . P D 2
C19 C 0.2715(4) 0.9112(4) -0.0341(3) 0.070(3) Uani 0.739(11) 1 d . . P D 1
H19A H 0.2709 0.8875 -0.0410 0.105 Uiso 0.739(11) 1 calc R . P D 1
H19B H 0.2459 0.9195 -0.0315 0.105 Uiso 0.739(11) 1 calc R . P D 1
H19C H 0.2845 0.9255 -0.0484 0.105 Uiso 0.739(11) 1 calc R . P D 1
C19A C 0.2712(10) 0.9420(8) -0.0198(8) 0.070(3) Uani 0.261(11) 1 d D . P D 2
H19D H 0.2599 0.9567 -0.0048 0.105 Uiso 0.261(11) 1 calc R . P D 2
H19E H 0.2887 0.9554 -0.0316 0.105 Uiso 0.261(11) 1 calc R . P D 2
H19F H 0.2515 0.9328 -0.0324 0.105 Uiso 0.261(11) 1 calc R . P D 2
C20 C 0.3294(5) 0.8956(5) -0.0112(4) 0.078(3) Uani 0.739(11) 1 d . U P D 1
H20A H 0.3251 0.8722 -0.0179 0.117 Uiso 0.739(11) 1 calc R . P D 1
H20B H 0.3427 0.9084 -0.0264 0.117 Uiso 0.739(11) 1 calc R . P D 1
H20C H 0.3444 0.8952 0.0067 0.117 Uiso 0.739(11) 1 calc R . P D 1
C20A C 0.3084(12) 0.8914(9) -0.0295(7) 0.078(3) Uani 0.261(11) 1 d D . P D 2
H20D H 0.3222 0.8721 -0.0212 0.117 Uiso 0.261(11) 1 calc R . P D 2
H20E H 0.2882 0.8828 -0.0420 0.117 Uiso 0.261(11) 1 calc R . P D 2
H20F H 0.3254 0.9055 -0.0412 0.117 Uiso 0.261(11) 1 calc R . P D 2
C21 C 0.2526(2) 0.9972(2) 0.17447(18) 0.046(2) Uani 1 1 d D . . . .
C22 C 0.2850(2) 1.0073(2) 0.1943(2) 0.070(3) Uani 1 1 d D . . . .
C23 C 0.2807(13) 1.0444(5) 0.2036(9) 0.074(5) Uani 0.44(4) 1 d D . P E 1
H23A H 0.2555 1.0479 0.2115 0.111 Uiso 0.44(4) 1 calc R . P E 1
H23B H 0.2992 1.0497 0.2187 0.111 Uiso 0.44(4) 1 calc R . P E 1
H23C H 0.2845 1.0593 0.1867 0.111 Uiso 0.44(4) 1 calc R . P E 1
C23A C 0.2766(10) 1.0399(5) 0.2108(7) 0.074(5) Uani 0.56(4) 1 d D . P E 2
H23D H 0.2978 1.0458 0.2233 0.111 Uiso 0.56(4) 1 calc R . P E 2
H23E H 0.2722 1.0584 0.1968 0.111 Uiso 0.56(4) 1 calc R . P E 2
H23F H 0.2543 1.0366 0.2229 0.111 Uiso 0.56(4) 1 calc R . P E 2
C24 C 0.2799(12) 0.9858(9) 0.2222(6) 0.086(5) Uani 0.44(4) 1 d D . P E 1
H24A H 0.2555 0.9908 0.2310 0.129 Uiso 0.44(4) 1 calc R . P E 1
H24B H 0.2812 0.9615 0.2173 0.129 Uiso 0.44(4) 1 calc R . P E 1
H24C H 0.2997 0.9913 0.2363 0.129 Uiso 0.44(4) 1 calc R . P E 1
C24A C 0.2940(10) 0.9771(5) 0.2144(6) 0.086(5) Uani 0.56(4) 1 d D . P E 2
H24D H 0.2992 0.9568 0.2026 0.129 Uiso 0.56(4) 1 calc R . P E 2
H24E H 0.3159 0.9825 0.2264 0.129 Uiso 0.56(4) 1 calc R . P E 2
H24F H 0.2726 0.9726 0.2272 0.129 Uiso 0.56(4) 1 calc R . P E 2
C25 C 0.3225(6) 0.9987(11) 0.1819(9) 0.084(5) Uani 0.44(4) 1 d D . P E 1
H25A H 0.3231 0.9745 0.1764 0.126 Uiso 0.44(4) 1 calc R . P E 1
H25B H 0.3272 1.0127 0.1645 0.126 Uiso 0.44(4) 1 calc R . P E 1
H25C H 0.3418 1.0032 0.1965 0.126 Uiso 0.44(4) 1 calc R . P E 1
C25A C 0.3189(6) 1.0118(10) 0.1744(6) 0.084(5) Uani 0.56(4) 1 d D . P E 2
H25D H 0.3239 0.9904 0.1640 0.126 Uiso 0.56(4) 1 calc R . P E 2
H25E H 0.3140 1.0300 0.1602 0.126 Uiso 0.56(4) 1 calc R . P E 2
H25F H 0.3407 1.0179 0.1863 0.126 Uiso 0.56(4) 1 calc R . P E 2
C26 C 0.2222(3) 1.0382(2) 0.0884(2) 0.046(2) Uani 1 1 d . . . . .
C27 C 0.2566(3) 1.0565(3) 0.0763(2) 0.0605(17) Uani 1 1 d . . . . .
C28 C 0.2826(4) 1.0637(4) 0.1005(4) 0.109(6) Uani 1 1 d . . . . .
H28A H 0.2720 1.0815 0.1131 0.163 Uiso 1 1 calc GR . . . .
H28B H 0.3065 1.0715 0.0925 0.163 Uiso 1 1 calc GR . . . .
H28C H 0.2864 1.0429 0.1120 0.163 Uiso 1 1 calc GR . . . .
C29 C 0.2454(4) 1.0873(4) 0.0583(4) 0.118(6) Uani 1 1 d . . . . .
H29A H 0.2216 1.0827 0.0484 0.178 Uiso 1 1 calc GR . . . .
H29B H 0.2647 1.0921 0.0437 0.178 Uiso 1 1 calc GR . . . .
H29C H 0.2425 1.1072 0.0711 0.178 Uiso 1 1 calc GR . . . .
C30 C 0.2745(4) 1.0310(4) 0.0540(3) 0.096(5) Uani 1 1 d . . . . .
H30A H 0.2836 1.0109 0.0645 0.145 Uiso 1 1 calc GR . . . .
H30B H 0.2955 1.0422 0.0441 0.145 Uiso 1 1 calc GR . . . .
H30C H 0.2558 1.0241 0.0396 0.145 Uiso 1 1 calc GR . . . .
N4 N 0.1797(2) 0.88384(18) 0.18413(14) 0.0360(15) Uani 1 1 d . . . . .
H4D H 0.190(3) 0.880(2) 0.171(2) 0.043 Uiso 1 1 d R . . . .
H4E H 0.171(2) 0.905(2) 0.1828(19) 0.043 Uiso 1 1 d R . . . .
C31 C 0.2064(3) 0.8785(3) 0.2096(2) 0.060(3) Uani 1 1 d . . . . .
H31 H 0.2177 0.8552 0.2082 0.072 Uiso 1 1 calc R . . . .
C32 C 0.1851(4) 0.8812(4) 0.2373(2) 0.098(5) Uani 1 1 d . . . . .
H32A H 0.1733 0.9037 0.2385 0.148 Uiso 1 1 calc GR . . . .
H32B H 0.2020 0.8782 0.2539 0.148 Uiso 1 1 calc GR . . . .
H32C H 0.1659 0.8634 0.2378 0.148 Uiso 1 1 calc GR . . . .
C33 C 0.2367(4) 0.9045(4) 0.2087(3) 0.097(5) Uani 1 1 d . . . . .
H33A H 0.2488 0.9039 0.1894 0.146 Uiso 1 1 calc GR . . . .
H33B H 0.2552 0.8994 0.2238 0.146 Uiso 1 1 calc GR . . . .
H33C H 0.2261 0.9272 0.2121 0.146 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'
Gd Gd -0.1653 3.9035 '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 Gd1 Cu1 44.01(13) . .
O1P Gd1 O2OH 73.70(19) . .
O1P Gd1 O3 162.0(3) . .
O1P Gd1 O4 143.27(19) . .
O1P Gd1 C6 167.6(3) . .
O2 Gd1 Cu1 65.93(17) . .
O2 Gd1 O1P 84.3(2) . .
O2 Gd1 O2OH 79.4(2) . .
O2 Gd1 O3 89.8(3) . .
O2 Gd1 O4 87.1(3) . .
O2 Gd1 O4P 165.8(2) . .
O2 Gd1 C6 88.0(4) . .
O2OH Gd1 Cu1 33.91(15) . .
O2OH Gd1 O4 69.6(2) . .
O2OH Gd1 C6 95.4(3) . .
O3 Gd1 Cu1 145.91(19) . .
O3 Gd1 O2OH 121.9(2) . .
O3 Gd1 O4 52.8(2) . .
O3 Gd1 C6 26.7(3) . .
O3P Gd1 Cu1 128.40(15) . .
O3P Gd1 O1P 86.08(19) . .
O3P Gd1 O2 103.8(2) . .
O3P Gd1 O2OH 159.2(2) . .
O3P Gd1 O3 78.9(2) . .
O3P Gd1 O4 130.6(2) . .
O3P Gd1 O4P 90.01(19) . .
O3P Gd1 C6 105.2(3) . .
O4 Gd1 Cu1 100.24(14) . .
O4 Gd1 C6 26.1(3) . .
O4P Gd1 Cu1 108.07(13) . .
O4P Gd1 O1P 100.23(18) . .
O4P Gd1 O2OH 88.92(19) . .
O4P Gd1 O3 89.6(3) . .
O4P Gd1 O4 81.3(2) . .
O4P Gd1 C6 85.2(3) . .
C6 Gd1 Cu1 123.7(2) . .
O1OH Gd2 Cu2 34.35(14) . .
O1OH Gd2 O7 73.89(19) . .
O1OH Gd2 C11 99.1(2) . .
O2P Gd2 Cu2 105.90(14) . .
O2P Gd2 O1OH 85.80(18) . .
O2P Gd2 O6 163.88(18) . .
O2P Gd2 O6P 98.39(18) . .
O2P Gd2 O7 86.86(18) . .
O2P Gd2 O7P 87.62(17) . .
O2P Gd2 O8 102.3(2) . .
O2P Gd2 C11 95.9(2) . .
O6 Gd2 Cu2 63.74(14) . .
O6 Gd2 O1OH 79.02(18) . .
O6 Gd2 O7 83.75(19) . .
O6 Gd2 O8 82.3(2) . .
O6 Gd2 C11 81.3(2) . .
O6P Gd2 Cu2 44.84(12) . .
O6P Gd2 O1OH 74.33(17) . .
O6P Gd2 O6 82.81(18) . .
O6P Gd2 O7 147.28(19) . .
O6P Gd2 O8 152.58(19) . .
O6P Gd2 C11 163.7(2) . .
O7 Gd2 Cu2 102.60(15) . .
O7 Gd2 C11 26.3(2) . .
O7P Gd2 Cu2 129.03(12) . .
O7P Gd2 O1OH 157.25(17) . .
O7P Gd2 O6 108.49(17) . .
O7P Gd2 O6P 85.15(17) . .
O7P Gd2 O7 127.47(19) . .
O7P Gd2 O8 77.97(18) . .
O7P Gd2 C11 103.2(2) . .
O8 Gd2 Cu2 141.03(15) . .
O8 Gd2 O1OH 124.72(18) . .
O8 Gd2 O7 52.58(19) . .
O8 Gd2 C11 26.3(2) . .
C11 Gd2 Cu2 123.11(18) . .
O3OH Gd3 Cu3 35.18(13) . .
O3OH Gd3 O10 72.26(19) . .
O3OH Gd3 C21 97.5(2) . .
O5P Gd3 Cu3 126.54(13) . .
O5P Gd3 O3OH 158.25(18) . .
O5P Gd3 O8P 84.37(17) . .
O5P Gd3 O9 78.3(2) . .
O5P Gd3 O9P 90.49(18) . 4
O5P Gd3 O10 129.18(19) . .
O5P Gd3 O11 104.69(19) . .
O5P Gd3 C21 104.2(2) . .
O8P Gd3 Cu3 44.08(11) . .
O8P Gd3 O3OH 74.51(17) . .
O8P Gd3 O9 154.43(19) . .
O8P Gd3 O10 146.36(18) . .
O8P Gd3 O11 82.77(19) . .
O8P Gd3 C21 164.3(2) . .
O9 Gd3 Cu3 141.55(18) . .
O9 Gd3 O3OH 123.3(2) . .
O9 Gd3 O10 53.0(2) . .
O9 Gd3 C21 26.5(2) . .
O9P Gd3 Cu3 106.71(12) 4 .
O9P Gd3 O3OH 87.32(17) 4 .
O9P Gd3 O8P 97.68(16) 4 .
O9P Gd3 O9 101.1(2) 4 .
O9P Gd3 O10 85.93(18) 4 .
O9P Gd3 O11 164.76(18) 4 .
O9P Gd3 C21 95.4(2) 4 .
O10 Gd3 Cu3 102.77(14) . .
O10 Gd3 C21 26.6(2) . .
O11 Gd3 Cu3 63.19(15) . .
O11 Gd3 O3OH 78.09(19) . .
O11 Gd3 O9 83.6(2) . .
O11 Gd3 O10 85.5(2) . .
O11 Gd3 C21 82.3(2) . .
C21 Gd3 Cu3 123.2(2) . .
Cu2 Cu1 Gd1 76.41(3) . .
O1 Cu1 Gd1 82.7(2) . .
O1 Cu1 Cu2 132.3(2) . .
O1 Cu1 O1OH 166.4(3) . .
O1 Cu1 O1P 97.6(2) . .
O1 Cu1 N1 93.3(3) . .
O1OH Cu1 Gd1 103.42(15) . .
O1OH Cu1 Cu2 40.74(17) . .
O1OH Cu1 O1P 95.02(19) . .
O1P Cu1 Gd1 42.72(13) . .
O1P Cu1 Cu2 95.22(13) . .
O2OH Cu1 Gd1 44.16(16) . .
O2OH Cu1 Cu2 41.55(16) . .
O2OH Cu1 O1 95.5(3) . .
O2OH Cu1 O1OH 81.2(2) . .
O2OH Cu1 O1P 81.9(2) . .
O2OH Cu1 N1 165.3(3) . .
N1 Cu1 Gd1 126.0(2) . .
N1 Cu1 Cu2 133.5(2) . .
N1 Cu1 O1OH 92.8(3) . .
N1 Cu1 O1P 85.3(2) . .
Cu1 Cu2 Gd2 77.05(3) . .
O1OH Cu2 Gd2 44.85(15) . .
O1OH Cu2 Cu1 42.02(15) . .
O1OH Cu2 O2OH 81.1(2) . .
O1OH Cu2 O5 95.4(2) . .
O1OH Cu2 O6P 81.2(2) . .
O1OH Cu2 N2 162.7(3) . .
O2OH Cu2 Gd2 103.17(17) . .
O2OH Cu2 Cu1 40.16(18) . .
O2OH Cu2 O6P 93.13(19) . .
O5 Cu2 Gd2 84.56(17) . .
O5 Cu2 Cu1 131.69(19) . .
O5 Cu2 O2OH 164.0(2) . .
O5 Cu2 O6P 101.8(2) . .
O5 Cu2 N2 95.1(3) . .
O6P Cu2 Gd2 41.97(12) . .
O6P Cu2 Cu1 93.61(12) . .
N2 Cu2 Gd2 122.9(2) . .
N2 Cu2 Cu1 132.4(2) . .
N2 Cu2 O2OH 92.4(3) . .
N2 Cu2 O6P 83.2(2) . .
Cu3 Cu3 Gd3 76.80(3) 4 .
O3OH Cu3 Gd3 44.94(15) . .
O3OH Cu3 Gd3 106.01(15) 4 .
O3OH Cu3 Cu3 41.52(16) 4 4
O3OH Cu3 Cu3 42.26(15) . 4
O3OH Cu3 O3OH 83.3(2) . 4
O3OH Cu3 O8P 95.28(19) 4 .
O3OH Cu3 O8P 82.49(19) . .
O3OH Cu3 N3 92.0(3) 4 .
O3OH Cu3 N3 165.6(2) . .
O8P Cu3 Gd3 43.14(11) . .
O8P Cu3 Cu3 93.67(11) . 4
O12 Cu3 Gd3 87.01(19) . .
O12 Cu3 Cu3 131.7(2) . 4
O12 Cu3 O3OH 159.6(2) . 4
O12 Cu3 O3OH 95.9(3) . .
O12 Cu3 O8P 104.8(2) . .
O12 Cu3 N3 93.2(3) . .
N3 Cu3 Gd3 124.8(2) . .
N3 Cu3 Cu3 133.3(2) . 4
N3 Cu3 O8P 84.4(2) . .
O1P P1 O2P 111.5(3) . .
O1P P1 O3P 114.4(3) . 4
O1P P1 C1P 106.1(4) . .
O2P P1 C1P 106.1(3) . .
O3P P1 O2P 110.2(3) 4 .
O3P P1 C1P 108.1(4) 4 .
O4P P2 C4P 107.3(4) . .
O5P P2 O4P 111.2(3) . .
O5P P2 O6P 114.1(3) . .
O5P P2 C4P 107.9(3) . .
O6P P2 O4P 110.8(3) . .
O6P P2 C4P 105.1(3) . .
O7P P3 O8P 115.2(3) . .
O7P P3 O9P 111.7(3) . .
O7P P3 C7P 108.1(3) . .
O8P P3 O9P 110.4(3) . .
O8P P3 C7P 104.9(3) . .
O9P P3 C7P 106.0(3) . .
C1 O1 Cu1 127.1(6) . .
Cu1 O1OH Gd2 127.0(2) . .
Cu2 O1OH Gd2 100.8(2) . .
Cu2 O1OH Cu1 97.2(2) . .
Gd1 O1P Cu1 93.3(2) . .
P1 O1P Gd1 161.7(3) . .
P1 O1P Cu1 105.0(2) . .
C1 O2 Gd1 139.0(6) . .
Cu1 O2OH Gd1 101.9(3) . .
Cu1 O2OH Cu2 98.3(2) . .
Cu2 O2OH Gd1 127.1(2) . .
P1 O2P Gd2 137.0(3) . .
C6 O3 Gd1 94.5(6) . .
Cu3 O3OH Gd3 99.9(2) . .
Cu3 O3OH Gd3 126.2(2) 4 .
Cu3 O3OH Cu3 96.2(2) . 4
P1 O3P Gd1 170.0(4) 4 .
C6 O4 Gd1 92.9(7) . .
P2 O4P Gd1 134.4(3) . .
C16 O5 Cu2 125.6(5) . .
P2 O5P Gd3 175.2(3) . .
C16 O6 Gd2 140.6(5) . .
Gd2 O6P Cu2 93.19(17) . .
P2 O6P Gd2 160.7(3) . .
P2 O6P Cu2 105.9(3) . .
C11 O7 Gd2 92.0(5) . .
P3 O7P Gd2 168.8(3) . .
C11 O8 Gd2 94.6(5) . .
Gd3 O8P Cu3 92.78(17) . .
P3 O8P Gd3 160.6(3) . .
P3 O8P Cu3 106.2(2) . .
C21 O9 Gd3 95.4(5) . .
P3 O9P Gd3 135.2(3) . 4
C21 O10 Gd3 91.7(4) . .
C26 O11 Gd3 140.2(5) . .
C26 O12 Cu3 123.8(5) . .
C1P N1 Cu1 116.0(5) . .
C4P N2 Cu2 117.1(5) . .
C7P N3 Cu3 115.8(5) . .
O1 C1 C2 117.5(9) . .
O2 C1 O1 125.2(8) . .
O2 C1 C2 117.3(9) . .
N1 C1P P1 107.1(6) . .
N1 C1P C2P 111.0(7) . .
N1 C1P C3P 109.5(8) . .
C2P C1P P1 110.7(7) . .
C2P C1P C3P 109.7(8) . .
C3P C1P P1 108.7(6) . .
C1 C2 C3A 103.3(15) . .
C1 C2 C5 105.8(10) . .
C3 C2 C1 108.7(8) . .
C3 C2 C5 105.2(11) . .
C4 C2 C1 113.1(9) . .
C4 C2 C3 115.3(12) . .
C4 C2 C5 108.0(10) . .
C4A C2 C1 108.7(17) . .
C4A C2 C3A 102.8(18) . .
C5A C2 C1 118(2) . .
C5A C2 C3A 102(2) . .
C5A C2 C4A 119(2) . .
N2 C4P P2 106.6(6) . .
N2 C4P C5P 109.4(7) . .
N2 C4P C6P 109.7(7) . .
C5P C4P P2 111.9(6) . .
C5P C4P C6P 110.8(8) . .
C6P C4P P2 108.3(6) . .
O3 C6 Gd1 58.8(6) . .
O3 C6 C7 123.8(12) . .
O3 C6 C7A 107.5(16) . .
O4 C6 Gd1 61.1(6) . .
O4 C6 O3 119.8(11) . .
O4 C6 C7 116.0(13) . .
O4 C6 C7A 132.2(17) . .
C7 C6 Gd1 174.6(11) . .
C7A C6 Gd1 164.3(17) . .
C8 C7 C6 111.2(15) . .
C9 C7 C6 100.5(15) . .
C9 C7 C8 109.3(15) . .
C10 C7 C6 115.4(14) . .
C10 C7 C8 109.6(17) . .
C10 C7 C9 110.4(16) . .
C6 C7A C8A 111(2) . .
C6 C7A C9A 103(2) . .
C6 C7A C10A 107(2) . .
C8A C7A C10A 111(2) . .
C9A C7A C8A 112(2) . .
C9A C7A C10A 112(2) . .
N3 C7P P3 105.9(5) . .
N3 C7P C8P 109.6(7) . .
N3 C7P C9P 110.5(7) . .
C8P C7P P3 108.4(6) . .
C9P C7P P3 111.5(6) . .
C9P C7P C8P 110.6(7) . .
O7 C11 Gd2 61.7(4) . .
O7 C11 O8 120.7(7) . .
O7 C11 C12 119.7(8) . .
O8 C11 Gd2 59.1(4) . .
O8 C11 C12 119.6(8) . .
C12 C11 Gd2 174.2(6) . .
C11 C12 C14 108.2(8) . .
C13 C12 C11 113.3(10) . .
C13 C12 C14 106.6(11) . .
C13 C12 C15 114.0(11) . .
C13A C12 C11 102.9(15) . .
C14A C12 C11 107.8(16) . .
C14A C12 C13A 109.4(18) . .
C15 C12 C11 107.6(9) . .
C15 C12 C14 106.8(11) . .
C15A C12 C11 110.0(15) . .
C15A C12 C13A 110.8(18) . .
C15A C12 C14A 115.1(19) . .
O5 C16 O6 124.0(7) . .
O5 C16 C17 119.8(8) . .
O6 C16 C17 116.2(8) . .
C16 C17 C18A 107.8(16) . .
C18 C17 C16 107.4(9) . .
C18 C17 C19 109.3(11) . .
C18 C17 C20 117.3(12) . .
C19 C17 C16 108.1(9) . .
C19 C17 C20 104.0(11) . .
C19A C17 C16 116.2(15) . .
C19A C17 C18A 105.7(19) . .
C20 C17 C16 110.3(9) . .
C20A C17 C16 113.7(17) . .
C20A C17 C18A 106.9(19) . .
C20A C17 C19A 106.0(19) . .
O9 C21 Gd3 58.1(4) . .
O9 C21 O10 119.5(7) . .
O9 C21 C22 117.8(8) . .
O10 C21 Gd3 61.7(4) . .
O10 C21 C22 122.5(8) . .
C22 C21 Gd3 175.7(7) . .
C21 C22 C24 105.0(14) . .
C21 C22 C24A 108.4(11) . .
C21 C22 C25A 106.5(12) . .
C23 C22 C21 109.5(19) . .
C23 C22 C24 106.1(17) . .
C23A C22 C21 111.1(14) . .
C23A C22 C24A 113.3(15) . .
C23A C22 C25A 110.9(15) . .
C25 C22 C21 113.6(16) . .
C25 C22 C23 114.5(19) . .
C25 C22 C24 107.4(16) . .
C25A C22 C24A 106.3(13) . .
O11 C26 O12 124.2(7) . .
O11 C26 C27 117.1(8) . .
O12 C26 C27 118.8(8) . .
C26 C27 C30 105.4(9) . .
C28 C27 C26 109.3(9) . .
C28 C27 C29 115.1(12) . .
C28 C27 C30 110.5(11) . .
C29 C27 C26 110.7(9) . .
C29 C27 C30 105.3(11) . .
C32 C31 N4 108.6(8) . .
C32 C31 C33 110.8(11) . .
C33 C31 N4 110.0(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 Cu1 3.4125(11) .
Gd1 O1P 2.319(5) .
Gd1 O2 2.279(6) .
Gd1 O2OH 2.430(5) .
Gd1 O3 2.419(7) .
Gd1 O3P 2.246(5) .
Gd1 O4 2.470(7) .
Gd1 O4P 2.280(5) .
Gd1 C6 2.820(12) .
Gd2 Cu2 3.4194(12) .
Gd2 O1OH 2.455(5) .
Gd2 O2P 2.281(5) .
Gd2 O6 2.294(5) .
Gd2 O6P 2.290(5) .
Gd2 O7 2.492(5) .
Gd2 O7P 2.287(5) .
Gd2 O8 2.433(6) .
Gd2 C11 2.827(8) .
Gd3 Cu3 3.3726(10) .
Gd3 O3OH 2.418(5) .
Gd3 O5P 2.227(5) .
Gd3 O8P 2.309(5) .
Gd3 O9 2.406(6) .
Gd3 O9P 2.297(5) 4
Gd3 O10 2.485(5) .
Gd3 O11 2.338(6) .
Gd3 C21 2.821(7) .
Cu1 Cu2 2.9859(15) .
Cu1 O1 1.993(6) .
Cu1 O1OH 2.015(5) .
Cu1 O1P 2.375(5) .
Cu1 O2OH 1.946(7) .
Cu1 N1 1.994(9) .
Cu2 O1OH 1.964(6) .
Cu2 O2OH 2.001(6) .
Cu2 O5 1.978(6) .
Cu2 O6P 2.415(5) .
Cu2 N2 1.997(8) .
Cu3 Cu3 2.958(2) 4
Cu3 O3OH 1.972(6) .
Cu3 O3OH 2.001(5) 4
Cu3 O8P 2.349(4) .
Cu3 O12 1.958(6) .
Cu3 N3 2.006(7) .
P1 O1P 1.513(6) .
P1 O2P 1.528(5) .
P1 O3P 1.521(6) 4
P1 C1P 1.845(8) .
P2 O4P 1.529(6) .
P2 O5P 1.507(5) .
P2 O6P 1.519(5) .
P2 C4P 1.839(9) .
P3 O7P 1.505(5) .
P3 O8P 1.525(5) .
P3 O9P 1.535(5) .
P3 C7P 1.845(8) .
O1 C1 1.268(12) .
O2 C1 1.246(12) .
O3 C6 1.272(15) .
O3OH Cu3 2.001(5) 4
O3P P1 1.521(6) 4
O4 C6 1.240(13) .
O5 C16 1.250(10) .
O6 C16 1.278(10) .
O7 C11 1.252(11) .
O8 C11 1.259(10) .
O9 C21 1.264(10) .
O9P Gd3 2.297(5) 4
O10 C21 1.265(10) .
O11 C26 1.262(10) .
O12 C26 1.265(11) .
N1 C1P 1.515(12) .
N2 C4P 1.499(10) .
N3 C7P 1.496(11) .
C1 C2 1.533(12) .
C1P C2P 1.518(14) .
C1P C3P 1.545(12) .
C2 C3 1.492(17) .
C2 C3A 1.558(14) .
C2 C4 1.472(13) .
C2 C4A 1.508(13) .
C2 C5 1.576(14) .
C2 C5A 1.507(14) .
C4P C5P 1.520(12) .
C4P C6P 1.540(12) .
C6 C7 1.60(2) .
C6 C7A 1.516(18) .
C7 C8 1.524(13) .
C7 C9 1.519(13) .
C7 C10 1.512(13) .
C7A C8A 1.520(14) .
C7A C9A 1.517(14) .
C7A C10A 1.522(11) .
C7P C8P 1.536(12) .
C7P C9P 1.525(12) .
C11 C12 1.541(11) .
C12 C13 1.462(17) .
C12 C13A 1.530(13) .
C12 C14 1.612(18) .
C12 C14A 1.505(13) .
C12 C15 1.524(18) .
C12 C15A 1.505(13) .
C16 C17 1.532(11) .
C17 C18 1.478(19) .
C17 C18A 1.536(13) .
C17 C19 1.522(19) .
C17 C19A 1.527(13) .
C17 C20 1.527(18) .
C17 C20A 1.519(13) .
C21 C22 1.527(8) .
C22 C23 1.522(13) .
C22 C23A 1.514(11) .
C22 C24 1.541(13) .
C22 C24A 1.533(11) .
C22 C25 1.497(13) .
C22 C25A 1.528(11) .
C26 C27 1.529(12) .
C27 C28 1.471(18) .
C27 C29 1.517(17) .
C27 C30 1.565(17) .
N4 C31 1.524(11) .
C31 C32 1.480(16) .
C31 C33 1.488(16) .
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
Gd1 O2 C1 O1 -3(2) . .
Gd1 O2 C1 C2 178.4(8) . .
Gd1 O3 C6 O4 1.1(14) . .
Gd1 O3 C6 C7 174.3(13) . .
Gd1 O3 C6 C7A -171.7(15) . .
Gd1 O4 C6 O3 -1.1(14) . .
Gd1 O4 C6 C7 -174.8(12) . .
Gd1 O4 C6 C7A 170(2) . .
Gd1 C6 C7A C8A 35(6) . .
Gd1 C6 C7A C9A 156(4) . .
Gd1 C6 C7A C10A -86(5) . .
Gd2 O6 C16 O5 -13.2(14) . .
Gd2 O6 C16 C17 166.7(6) . .
Gd2 O7 C11 O8 -3.7(8) . .
Gd2 O7 C11 C12 173.6(7) . .
Gd2 O8 C11 O7 3.8(8) . .
Gd2 O8 C11 C12 -173.5(7) . .
Gd3 O9 C21 O10 6.3(9) . .
Gd3 O9 C21 C22 -178.8(7) . .
Gd3 O10 C21 O9 -6.1(9) . .
Gd3 O10 C21 C22 179.2(8) . .
Gd3 O11 C26 O12 -15.4(16) . .
Gd3 O11 C26 C27 165.4(7) . .
Cu1 O1 C1 O2 -1.2(18) . .
Cu1 O1 C1 C2 177.9(7) . .
Cu1 N1 C1P P1 35.8(7) . .
Cu1 N1 C1P C2P 156.8(6) . .
Cu1 N1 C1P C3P -81.9(7) . .
Cu2 O5 C16 O6 -1.8(12) . .
Cu2 O5 C16 C17 178.3(6) . .
Cu2 N2 C4P P2 41.0(7) . .
Cu2 N2 C4P C5P 162.2(7) . .
Cu2 N2 C4P C6P -76.1(8) . .
Cu3 O12 C26 O11 0.5(13) . .
Cu3 O12 C26 C27 179.7(7) . .
Cu3 N3 C7P P3 41.0(7) . .
Cu3 N3 C7P C8P -75.8(7) . .
Cu3 N3 C7P C9P 161.9(5) . .
O1 C1 C2 C3 -132.2(13) . .
O1 C1 C2 C3A -43.7(19) . .
O1 C1 C2 C4 -2.8(17) . .
O1 C1 C2 C4A 65(2) . .
O1 C1 C2 C5 115.2(12) . .
O1 C1 C2 C5A -156(2) . .
O1P P1 O2P Gd2 16.1(5) . .
O1P P1 C1P N1 -50.0(7) . .
O1P P1 C1P C2P -171.1(6) . .
O1P P1 C1P C3P 68.3(8) . .
O2 C1 C2 C3 47.0(16) . .
O2 C1 C2 C3A 135.5(18) . .
O2 C1 C2 C4 176.4(12) . .
O2 C1 C2 C4A -116(2) . .
O2 C1 C2 C5 -65.6(13) . .
O2 C1 C2 C5A 24(3) . .
O2P P1 O1P Gd1 97.9(10) . .
O2P P1 O1P Cu1 -77.4(3) . .
O2P P1 C1P N1 68.7(7) . .
O2P P1 C1P C2P -52.4(7) . .
O2P P1 C1P C3P -173.1(7) . .
O3 C6 C7 C8 -27(2) . .
O3 C6 C7 C9 88.4(18) . .
O3 C6 C7 C10 -152.9(17) . .
O3 C6 C7A C8A 63(2) . .
O3 C6 C7A C9A -177(2) . .
O3 C6 C7A C10A -59(3) . .
O3P P1 O1P Gd1 -28.0(11) 4 .
O3P P1 O1P Cu1 156.7(3) 4 .
O3P P1 O2P Gd2 144.2(4) 4 .
O3P P1 C1P N1 -173.1(6) 4 .
O3P P1 C1P C2P 65.7(7) 4 .
O3P P1 C1P C3P -54.9(8) 4 .
O4 C6 C7 C8 146.2(17) . .
O4 C6 C7 C9 -98.2(16) . .
O4 C6 C7 C10 20(2) . .
O4 C6 C7A C8A -109(3) . .
O4 C6 C7A C9A 11(3) . .
O4 C6 C7A C10A 130(3) . .
O4P P2 O6P Gd2 109.6(9) . .
O4P P2 O6P Cu2 -79.6(3) . .
O4P P2 C4P N2 66.8(6) . .
O4P P2 C4P C5P -52.8(7) . .
O4P P2 C4P C6P -175.3(5) . .
O5 C16 C17 C18 -114.1(11) . .
O5 C16 C17 C18A -56(2) . .
O5 C16 C17 C19 128.1(11) . .
O5 C16 C17 C19A -174.2(19) . .
O5 C16 C17 C20 14.9(15) . .
O5 C16 C17 C20A 62(2) . .
O5P P2 O4P Gd1 147.1(4) . .
O5P P2 O6P Gd2 -16.8(11) . .
O5P P2 O6P Cu2 154.1(3) . .
O5P P2 C4P N2 -173.3(5) . .
O5P P2 C4P C5P 67.1(7) . .
O5P P2 C4P C6P -55.4(6) . .
O6 C16 C17 C18 66.0(13) . .
O6 C16 C17 C18A 124.2(18) . .
O6 C16 C17 C19 -51.8(12) . .
O6 C16 C17 C19A 6(2) . .
O6 C16 C17 C20 -165.0(11) . .
O6 C16 C17 C20A -118(2) . .
O6P P2 O4P Gd1 19.1(5) . .
O6P P2 C4P N2 -51.2(6) . .
O6P P2 C4P C5P -170.8(6) . .
O6P P2 C4P C6P 66.7(6) . .
O7 C11 C12 C13 -33.3(14) . .
O7 C11 C12 C13A 39.1(17) . .
O7 C11 C12 C14 -151.3(9) . .
O7 C11 C12 C14A -76.5(19) . .
O7 C11 C12 C15 93.7(11) . .
O7 C11 C12 C15A 157.2(17) . .
O7P P3 O8P Gd3 -13.3(10) . .
O7P P3 O8P Cu3 155.5(2) . .
O7P P3 O9P Gd3 143.7(3) . 4
O7P P3 C7P N3 -175.1(5) . .
O7P P3 C7P C8P -57.5(7) . .
O7P P3 C7P C9P 64.6(7) . .
O8 C11 C12 C13 144.0(11) . .
O8 C11 C12 C13A -143.6(17) . .
O8 C11 C12 C14 26.0(12) . .
O8 C11 C12 C14A 100.8(18) . .
O8 C11 C12 C15 -89.0(12) . .
O8 C11 C12 C15A -25.5(19) . .
O8P P3 O7P Gd2 -67.4(16) . .
O8P P3 O9P Gd3 14.2(5) . 4
O8P P3 C7P N3 -51.8(6) . .
O8P P3 C7P C8P 65.8(6) . .
O8P P3 C7P C9P -172.1(6) . .
O9 C21 C22 C23 162(2) . .
O9 C21 C22 C23A 177.9(16) . .
O9 C21 C22 C24 -84(2) . .
O9 C21 C22 C24A -57.0(19) . .
O9 C21 C22 C25 33(2) . .
O9 C21 C22 C25A 57.1(18) . .
O9P P3 O7P Gd2 165.6(15) . .
O9P P3 O8P Gd3 114.3(8) . .
O9P P3 O8P Cu3 -76.9(3) . .
O9P P3 C7P N3 65.1(6) . .
O9P P3 C7P C8P -177.3(6) . .
O9P P3 C7P C9P -55.2(7) . .
O10 C21 C22 C23 -23(2) . .
O10 C21 C22 C23A -7.3(19) . .
O10 C21 C22 C24 90(2) . .
O10 C21 C22 C24A 117.8(19) . .
O10 C21 C22 C25 -153(2) . .
O10 C21 C22 C25A -128.1(17) . .
O11 C26 C27 C28 -53.4(13) . .
O11 C26 C27 C29 178.8(11) . .
O11 C26 C27 C30 65.4(12) . .
O12 C26 C27 C28 127.3(12) . .
O12 C26 C27 C29 -0.6(15) . .
O12 C26 C27 C30 -113.9(11) . .
C1P P1 O1P Gd1 -147.1(10) . .
C1P P1 O1P Cu1 37.6(4) . .
C1P P1 O2P Gd2 -99.0(5) . .
C4P P2 O4P Gd1 -95.1(5) . .
C4P P2 O6P Gd2 -134.8(9) . .
C4P P2 O6P Cu2 36.1(4) . .
C7P P3 O7P Gd2 49.4(17) . .
C7P P3 O8P Gd3 -132.0(9) . .
C7P P3 O8P Cu3 36.8(3) . .
C7P P3 O9P Gd3 -98.8(4) . 4
