#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:09:31 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179469 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/66/4336691.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_4336691
loop_
_publ_author_name
'Michał J. Kobyłka'
'Katarzyna Ślepokura'
'Maria Acebrón Rodicio'
'Marta Paluch'
'Jerzy Lisowski'
_publ_contact_author_address
;
Department of Chemistry, 
University of Wroclaw, 
14 F. Joliot-Curie
50-383 Wroclaw,
Poland
;
_publ_contact_author_email       jerzy.lisowski@chem.uni.wroc.pl
_publ_contact_author_fax         '+48 71 3282348'
_publ_contact_author_name        'Jerzy Lisowski'
_publ_contact_author_phone       '+48 71 3757252'
_publ_section_title
;
 Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in
 Macrocyclic Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12893
_journal_page_last               12903
_journal_paper_doi               10.1021/ic400508y
_journal_volume                  52
_journal_year                    2013
_chemical_absolute_configuration rmad
_chemical_formula_sum            'C116 H206 Gd6 N20 O46'
_chemical_formula_weight         3560.51
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.35(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.840(4)
_cell_length_b                   20.925(4)
_cell_length_c                   21.945(4)
_cell_measurement_reflns_used    48956
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      38.41
_cell_measurement_theta_min      4.73
_cell_volume                     7296(3)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type
;
Xcalibur PX kappa-geometry diffractometer with an Onyx CCD camera
;
_diffrn_measurement_method       'omega and phi scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) x-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0773
_diffrn_reflns_av_sigmaI/netI    0.0520
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            46164
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         4.76
_exptl_absorpt_coefficient_mu    2.773
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_description       block
_exptl_crystal_F_000             3588
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.777
_refine_diff_density_min         -1.722
_refine_diff_density_rms         0.151
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.038(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     843
_refine_ls_number_reflns         13207
_refine_ls_number_restraints     354
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0439
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0098P)²+139.8067P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0951
_refine_ls_wR_factor_ref         0.0958
_reflns_number_gt                12854
_reflns_number_total             13207
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400508y_si_002_7.cif
_cod_data_source_block           11
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4336691
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1A Gd 0.60374(2) 0.64024(8) 1.056147(17) 0.01574(9) Uani 1 1 d . . .
Gd2A Gd 0.5000 0.49186(9) 1.0000 0.01714(13) Uani 1 2 d S . .
O1A O 0.5000 0.7186(4) 1.0000 0.0171(16) Uani 1 2 d S . .
O2A O 0.6348(3) 0.5272(3) 1.0705(3) 0.0193(12) Uani 1 1 d . . .
O3A O 0.5284(3) 0.5911(3) 0.9561(2) 0.0171(11) Uani 1 1 d . . .
H3AO H 0.5516 0.5913 0.9196 0.021 Uiso 1 1 calc R . .
N1A N 0.6638(4) 0.7465(4) 1.0970(3) 0.0188(14) Uani 1 1 d . . .
H1A H 0.6689 0.7676 1.0612 0.023 Uiso 1 1 calc R . .
N2A N 0.7598(4) 0.6361(4) 1.1231(3) 0.0174(13) Uani 1 1 d . . .
H2A H 0.7639 0.6227 1.1645 0.021 Uiso 1 1 calc R . .
N3A N 0.5764(4) 0.3899(4) 1.0523(3) 0.0231(16) Uani 1 1 d . . .
H3A H 0.6201 0.3833 1.0359 0.028 Uiso 1 1 calc R . .
C1A C 0.5000 0.7842(5) 1.0000 0.013(2) Uani 1 2 d S . .
C2A C 0.5442(5) 0.8190(4) 1.0552(4) 0.0227(18) Uani 1 1 d . . .
C3A C 0.5432(6) 0.8848(4) 1.0536(4) 0.027(2) Uani 1 1 d . . .
H3A1 H 0.5742 0.9069 1.0919 0.033 Uiso 1 1 calc R . .
C4A C 0.5000 0.9209(6) 1.0000 0.032(3) Uani 1 2 d S . .
C5A C 0.5000 0.9917(6) 1.0000 0.050(4) Uani 1 2 d SD . .
C6A C 0.4651(11) 1.0245(10) 1.0479(7) 0.051(6) Uiso 0.50 1 d PD . .
H6A1 H 0.4446 0.9922 1.0714 0.076 Uiso 0.50 1 calc PR . .
H6A2 H 0.4185 1.0528 1.0245 0.076 Uiso 0.50 1 calc PR . .
H6A3 H 0.5096 1.0498 1.0786 0.076 Uiso 0.50 1 calc PR . .
C7A C 0.5939(4) 1.0081(12) 1.0200(9) 0.067(8) Uiso 0.50 1 d PD . .
H7A1 H 0.6190 0.9860 0.9915 0.100 Uiso 0.50 1 calc PR . .
H7A2 H 0.6220 0.9944 1.0647 0.100 Uiso 0.50 1 calc PR . .
H7A3 H 0.6006 1.0544 1.0167 0.100 Uiso 0.50 1 calc PR . .
C8A C 0.4573(12) 1.0220(12) 0.9337(5) 0.068(8) Uiso 0.50 1 d PD . .
H8A1 H 0.4790 1.0023 0.9019 0.103 Uiso 0.50 1 calc PR . .
H8A2 H 0.4691 1.0679 0.9361 0.103 Uiso 0.50 1 calc PR . .
H8A3 H 0.3964 1.0151 0.9207 0.103 Uiso 0.50 1 calc PR . .
C9A C 0.5974(5) 0.7832(4) 1.1149(4) 0.0223(17) Uani 1 1 d . . .
H9A1 H 0.6243 0.8136 1.1503 0.027 Uiso 1 1 calc R . .
H9A2 H 0.5618 0.7534 1.1297 0.027 Uiso 1 1 calc R . .
C10A C 0.7500(5) 0.7488(5) 1.1467(4) 0.0234(17) Uani 1 1 d . . .
H10A H 0.7450 0.7374 1.1896 0.028 Uiso 1 1 calc R . .
C11A C 0.7904(5) 0.8144(5) 1.1523(4) 0.029(2) Uani 1 1 d . . .
H11A H 0.7553 0.8458 1.1655 0.034 Uiso 1 1 calc R . .
H11B H 0.7926 0.8274 1.1095 0.034 Uiso 1 1 calc R . .
C12A C 0.8803(6) 0.8150(5) 1.2018(5) 0.038(2) Uani 1 1 d . . .
H12A H 0.9059 0.8577 1.2023 0.046 Uiso 1 1 calc R . .
H12B H 0.8781 0.8062 1.2456 0.046 Uiso 1 1 calc R . .
C13A C 0.9334(5) 0.7643(6) 1.1836(6) 0.044(3) Uani 1 1 d . . .
H13A H 0.9900 0.7631 1.2168 0.053 Uiso 1 1 calc R . .
H13B H 0.9402 0.7759 1.1419 0.053 Uiso 1 1 calc R . .
C14A C 0.8929(5) 0.6984(5) 1.1779(4) 0.030(2) Uani 1 1 d . . .
H14A H 0.8913 0.6850 1.2208 0.036 Uiso 1 1 calc R . .
H14B H 0.9276 0.6671 1.1641 0.036 Uiso 1 1 calc R . .
C15A C 0.8032(5) 0.6985(5) 1.1292(4) 0.0251(19) Uani 1 1 d . . .
H15A H 0.8069 0.7098 1.0859 0.030 Uiso 1 1 calc R . .
C16A C 0.7957(5) 0.5847(4) 1.0932(4) 0.0211(17) Uani 1 1 d . . .
H16A H 0.8562 0.5930 1.1015 0.025 Uiso 1 1 calc R . .
H16B H 0.7669 0.5845 1.0458 0.025 Uiso 1 1 calc R . .
C17A C 0.7849(5) 0.5211(5) 1.1205(4) 0.0250(19) Uani 1 1 d . . .
C18A C 0.8553(5) 0.4900(5) 1.1608(4) 0.0282(19) Uani 1 1 d . . .
H18A H 0.9087 0.5096 1.1692 0.034 Uiso 1 1 calc R . .
C19A C 0.8514(6) 0.4323(5) 1.1891(4) 0.032(2) Uani 1 1 d . A .
C20A C 0.7713(5) 0.4045(5) 1.1748(4) 0.0308(19) Uani 1 1 d . . .
H20A H 0.7663 0.3638 1.1924 0.037 Uiso 1 1 calc R . .
C21A C 0.6989(5) 0.4354(4) 1.1353(4) 0.0236(18) Uani 1 1 d . . .
C22A C 0.7046(5) 0.4947(4) 1.1085(3) 0.0158(15) Uani 1 1 d . . .
C23A C 0.9287(5) 0.4006(4) 1.2384(4) 0.047(3) Uani 1 1 d D . .
C24A C 0.9075(11) 0.3386(5) 1.2666(8) 0.054(6) Uiso 0.59(2) 1 d PD A 1
H24A H 0.9595 0.3187 1.2945 0.082 Uiso 0.59(2) 1 calc PR A 1
H24B H 0.8786 0.3093 1.2314 0.082 Uiso 0.59(2) 1 calc PR A 1
H24C H 0.8708 0.3482 1.2920 0.082 Uiso 0.59(2) 1 calc PR A 1
C25A C 0.9953(8) 0.3848(7) 1.2074(7) 0.041(5) Uiso 0.59(2) 1 d PD A 1
H25A H 1.0448 0.3663 1.2400 0.062 Uiso 0.59(2) 1 calc PR A 1
H25B H 1.0117 0.4239 1.1900 0.062 Uiso 0.59(2) 1 calc PR A 1
H25C H 0.9723 0.3539 1.1723 0.062 Uiso 0.59(2) 1 calc PR A 1
C26A C 0.9692(11) 0.4459(7) 1.2949(7) 0.059(6) Uiso 0.59(2) 1 d PD A 1
H26A H 1.0219 0.4272 1.3232 0.088 Uiso 0.59(2) 1 calc PR A 1
H26B H 0.9306 0.4525 1.3194 0.088 Uiso 0.59(2) 1 calc PR A 1
H26C H 0.9810 0.4870 1.2783 0.088 Uiso 0.59(2) 1 calc PR A 1
C24Q C 0.9221(15) 0.3757(12) 1.3020(7) 0.056(9) Uiso 0.41(2) 1 d PD A 2
H24D H 0.9755 0.3558 1.3274 0.083 Uiso 0.41(2) 1 calc PR A 2
H24E H 0.8768 0.3439 1.2929 0.083 Uiso 0.41(2) 1 calc PR A 2
H24F H 0.9096 0.4113 1.3264 0.083 Uiso 0.41(2) 1 calc PR A 2
C25Q C 0.946(2) 0.3432(9) 1.2016(13) 0.097(15) Uiso 0.41(2) 1 d PD A 2
H25D H 0.9971 0.3212 1.2286 0.146 Uiso 0.41(2) 1 calc PR A 2
H25E H 0.9546 0.3580 1.1617 0.146 Uiso 0.41(2) 1 calc PR A 2
H25F H 0.8984 0.3138 1.1908 0.146 Uiso 0.41(2) 1 calc PR A 2
C26Q C 1.0058(13) 0.4443(12) 1.2550(12) 0.078(12) Uiso 0.41(2) 1 d PD A 2
H26D H 1.0549 0.4218 1.2840 0.118 Uiso 0.41(2) 1 calc PR A 2
H26E H 0.9953 0.4830 1.2764 0.118 Uiso 0.41(2) 1 calc PR A 2
H26F H 1.0168 0.4562 1.2153 0.118 Uiso 0.41(2) 1 calc PR A 2
C27A C 0.6154(5) 0.4031(5) 1.1227(4) 0.0280(18) Uani 1 1 d . . .
H27A H 0.6233 0.3626 1.1472 0.034 Uiso 1 1 calc R . .
H27B H 0.5778 0.4310 1.1374 0.034 Uiso 1 1 calc R . .
C28A C 0.5224(6) 0.3317(5) 1.0370(4) 0.028(2) Uani 1 1 d . . .
H28A H 0.4790 0.3352 1.0588 0.034 Uiso 1 1 calc R . .
C29A C 0.5723(7) 0.2700(4) 1.0592(6) 0.042(3) Uani 1 1 d . . .
H29A H 0.6206 0.2695 1.0431 0.051 Uiso 1 1 calc R . .
H29B H 0.5949 0.2695 1.1070 0.051 Uiso 1 1 calc R . .
C30A C 0.5201(9) 0.2104(5) 1.0360(6) 0.054(3) Uani 1 1 d . . .
H30A H 0.5565 0.1722 1.0493 0.065 Uiso 1 1 calc R . .
H30B H 0.4758 0.2078 1.0563 0.065 Uiso 1 1 calc R . .
N4A N 0.6855(5) 0.6714(3) 0.9323(3) 0.058(3) Uani 1 1 d D . .
O4A O 0.6761(3) 0.6808(3) 0.9859(2) 0.0283(14) Uani 1 1 d D B .
O5A O 0.7084(12) 0.7162(5) 0.9042(5) 0.066(5) Uiso 0.65(3) 1 d PD B 1
O6A O 0.6651(11) 0.6186(4) 0.9045(5) 0.054(4) Uiso 0.65(3) 1 d PD B 1
O5Q O 0.7456(9) 0.6969(9) 0.9199(6) 0.027(6) Uiso 0.35(3) 1 d PD B 2
O6Q O 0.6342(11) 0.6371(11) 0.8909(6) 0.036(6) Uiso 0.35(3) 1 d PD B 2
O1WA O 0.5987(3) 0.6366(4) 1.1645(3) 0.0280(13) Uani 1 1 d . . .
O1MA O 0.4278(4) 0.4614(3) 1.0748(3) 0.0271(14) Uani 1 1 d D . .
H1MA H 0.4527 0.4834 1.1075 0.032 Uiso 1 1 calc R . .
C1MA C 0.3394(5) 0.4637(6) 1.0629(6) 0.047(3) Uani 1 1 d D . .
H1M1 H 0.3203 0.5082 1.0567 0.070 Uiso 1 1 calc R . .
H1M2 H 0.3269 0.4454 1.0998 0.070 Uiso 1 1 calc R . .
H1M3 H 0.3103 0.4390 1.0239 0.070 Uiso 1 1 calc R . .
Gd1B Gd 0.93825(2) 0.90103(8) 0.551696(19) 0.01851(9) Uani 1 1 d . . .
Gd2B Gd 1.0000 0.75341(9) 0.5000 0.02177(13) Uani 1 2 d S . .
O1B O 1.0000 0.9786(4) 0.5000 0.027(2) Uani 1 2 d S . .
O2B O 0.9188(3) 0.7897(3) 0.5663(3) 0.0247(13) Uani 1 1 d . D .
O3B O 0.9379(3) 0.8514(3) 0.4533(3) 0.0169(11) Uani 1 1 d . . .
H3BO H 0.8855 0.8514 0.4146 0.020 Uiso 1 1 calc R . .
N1B N 0.8826(4) 1.0081(4) 0.5732(4) 0.0251(17) Uani 1 1 d . D .
H1B H 0.9277 1.0300 0.6019 0.030 Uiso 1 1 calc R . .
N2B N 0.8613(4) 0.8941(4) 0.6308(3) 0.0217(15) Uani 1 1 d . D .
H2B H 0.8092 0.8760 0.6089 0.026 Uiso 1 1 calc R . .
N3B N 0.9398(5) 0.6524(4) 0.5307(4) 0.034(2) Uani 1 1 d . . .
H3B H 0.9668 0.6470 0.5748 0.041 Uiso 1 1 calc R D .
C1B C 1.0000 1.0424(7) 0.5000 0.035(2) Uani 1 2 d SU . .
C2B C 0.9305(7) 1.0787(5) 0.5040(5) 0.0384(17) Uani 1 1 d U D .
C3B C 0.9316(8) 1.1438(6) 0.5041(5) 0.0499(18) Uani 1 1 d U . .
H3B1 H 0.8837 1.1658 0.5071 0.060 Uiso 1 1 calc R D .
C4B C 1.0000 1.1799(9) 0.5000 0.059(2) Uani 1 2 d SU . .
C5B C 1.0000 1.2537(7) 0.5000 0.070(3) Uani 1 2 d SDU . .
C6B C 1.0177(14) 1.2843(13) 0.4426(7) 0.079(5) Uiso 0.50 1 d PDU D .
H6B1 H 1.0106 1.2524 0.4085 0.118 Uiso 0.50 1 calc PR . .
H6B2 H 1.0755 1.3007 0.4565 0.118 Uiso 0.50 1 calc PR . .
H6B3 H 0.9783 1.3197 0.4258 0.118 Uiso 0.50 1 calc PR . .
C7B C 1.0746(9) 1.2693(13) 0.5606(6) 0.076(5) Uiso 0.50 1 d PDU D .
H7B1 H 1.1265 1.2704 0.5496 0.113 Uiso 0.50 1 calc PR . .
H7B2 H 1.0795 1.2365 0.5934 0.113 Uiso 0.50 1 calc PR . .
H7B3 H 1.0656 1.3111 0.5774 0.113 Uiso 0.50 1 calc PR . .
C8B C 0.9225(10) 1.2867(14) 0.5071(11) 0.086(5) Uiso 0.50 1 d PDU D .
H8B1 H 0.8722 1.2730 0.4720 0.129 Uiso 0.50 1 calc PR . .
H8B2 H 0.9289 1.3331 0.5051 0.129 Uiso 0.50 1 calc PR . .
H8B3 H 0.9168 1.2751 0.5487 0.129 Uiso 0.50 1 calc PR . .
C9B C 0.8569(6) 1.0446(5) 0.5109(5) 0.034(2) Uani 1 1 d . . .
H9B1 H 0.8339 1.0148 0.4742 0.041 Uiso 1 1 calc R D .
H9B2 H 0.8124 1.0758 0.5102 0.041 Uiso 1 1 calc R . .
C10B C 0.8164(5) 1.0044(4) 0.6034(4) 0.0223(18) Uani 1 1 d . . .
H10B H 0.7634 0.9890 0.5702 0.027 Uiso 1 1 calc R D .
C11B C 0.7983(6) 1.0697(5) 0.6295(5) 0.030(2) Uani 1 1 d . D .
H11C H 0.8513 1.0875 0.6594 0.036 Uiso 1 1 calc R . .
H11D H 0.7763 1.1000 0.5931 0.036 Uiso 1 1 calc R . .
C12B C 0.7340(6) 1.0629(5) 0.6649(5) 0.034(2) Uani 1 1 d . . .
H12C H 0.7270 1.1047 0.6837 0.041 Uiso 1 1 calc R D .
H12D H 0.6789 1.0504 0.6336 0.041 Uiso 1 1 calc R . .
C13B C 0.7615(5) 1.0133(5) 0.7182(4) 0.030(2) Uani 1 1 d . D .
H13C H 0.7169 1.0079 0.7380 0.036 Uiso 1 1 calc R . .
H13D H 0.8131 1.0282 0.7523 0.036 Uiso 1 1 calc R . .
C14B C 0.7787(5) 0.9490(4) 0.6917(4) 0.0254(19) Uani 1 1 d . . .
H14C H 0.7990 0.9181 0.7277 0.030 Uiso 1 1 calc R D .
H14D H 0.7256 0.9323 0.6609 0.030 Uiso 1 1 calc R . .
C15B C 0.8439(5) 0.9550(4) 0.6577(4) 0.0203(17) Uani 1 1 d . D .
H15B H 0.8976 0.9702 0.6901 0.024 Uiso 1 1 calc R . .
C16B C 0.9078(5) 0.8463(4) 0.6804(4) 0.0213(17) Uani 1 1 d . . .
H16C H 0.9010 0.8566 0.7224 0.026 Uiso 1 1 calc R D .
H16D H 0.9686 0.8480 0.6860 0.026 Uiso 1 1 calc R . .
C17B C 0.8745(5) 0.7806(4) 0.6594(4) 0.0248(18) Uani 1 1 d . D .
C18B C 0.8351(6) 0.7458(5) 0.6952(5) 0.035(2) Uani 1 1 d . . .
H18B H 0.8322 0.7642 0.7340 0.042 Uiso 1 1 calc R D .
C19B C 0.8001(7) 0.6862(6) 0.6778(5) 0.046(3) Uani 1 1 d . C .
C20B C 0.8057(7) 0.6614(6) 0.6192(5) 0.049(3) Uani 1 1 d . . .
H20B H 0.7832 0.6203 0.6051 0.059 Uiso 1 1 calc R D .
C21B C 0.8429(6) 0.6955(5) 0.5824(5) 0.035(2) Uani 1 1 d . D .
C22B C 0.8794(4) 0.7555(4) 0.6017(4) 0.0171(16) Uani 1 1 d . . .
C23B C 0.7601(7) 0.6497(5) 0.7198(5) 0.074(5) Uani 1 1 d D . .
C24B C 0.8277(10) 0.6316(10) 0.7836(8) 0.096(6) Uiso 0.685(17) 1 d PDU C 1
H24G H 0.8020 0.6069 0.8101 0.144 Uiso 0.685(17) 1 calc PR C 1
H24H H 0.8531 0.6705 0.8068 0.144 Uiso 0.685(17) 1 calc PR C 1
H24I H 0.8712 0.6058 0.7748 0.144 Uiso 0.685(17) 1 calc PR C 1
C25B C 0.7156(12) 0.5880(7) 0.6894(10) 0.078(7) Uiso 0.685(17) 1 d PDU C 1
H25G H 0.6717 0.5980 0.6484 0.117 Uiso 0.685(17) 1 calc PR C 1
H25H H 0.6902 0.5679 0.7188 0.117 Uiso 0.685(17) 1 calc PR C 1
H25I H 0.7566 0.5587 0.6816 0.117 Uiso 0.685(17) 1 calc PR C 1
C26B C 0.6953(12) 0.6913(9) 0.7363(11) 0.094(7) Uiso 0.685(17) 1 d PDU C 1
H26G H 0.6494 0.7019 0.6965 0.141 Uiso 0.685(17) 1 calc PR C 1
H26H H 0.7223 0.7307 0.7573 0.141 Uiso 0.685(17) 1 calc PR C 1
H26I H 0.6726 0.6679 0.7656 0.141 Uiso 0.685(17) 1 calc PR C 1
C24E C 0.750(2) 0.683(2) 0.7791(14) 0.094(7) Uiso 0.315(17) 1 d PDU C 2
H24J H 0.7071 0.7159 0.7652 0.142 Uiso 0.315(17) 1 calc PR C 2
H24K H 0.8039 0.7018 0.8048 0.142 Uiso 0.315(17) 1 calc PR C 2
H24L H 0.7332 0.6510 0.8054 0.142 Uiso 0.315(17) 1 calc PR C 2
C25E C 0.822(2) 0.5945(14) 0.744(2) 0.103(9) Uiso 0.315(17) 1 d PDU C 2
H25J H 0.8343 0.5750 0.7075 0.154 Uiso 0.315(17) 1 calc PR C 2
H25K H 0.7978 0.5625 0.7651 0.154 Uiso 0.315(17) 1 calc PR C 2
H25L H 0.8747 0.6109 0.7751 0.154 Uiso 0.315(17) 1 calc PR C 2
C26E C 0.6749(14) 0.6204(19) 0.6816(17) 0.076(9) Uiso 0.315(17) 1 d PDU C 2
H26J H 0.6389 0.6532 0.6542 0.114 Uiso 0.315(17) 1 calc PR C 2
H26K H 0.6480 0.6037 0.7117 0.114 Uiso 0.315(17) 1 calc PR C 2
H26L H 0.6833 0.5855 0.6546 0.114 Uiso 0.315(17) 1 calc PR C 2
C27B C 0.8511(6) 0.6650(5) 0.5223(5) 0.037(2) Uani 1 1 d . D .
H27C H 0.8192 0.6244 0.5132 0.044 Uiso 1 1 calc R . .
H27D H 0.8271 0.6938 0.4849 0.044 Uiso 1 1 calc R . .
C28B C 0.9552(7) 0.5929(4) 0.4994(5) 0.043(3) Uani 1 1 d . . .
H28B H 0.9176 0.5930 0.4533 0.052 Uiso 1 1 calc R . .
C29B C 0.9371(9) 0.5321(5) 0.5321(7) 0.068(5) Uani 1 1 d . . .
H29C H 0.8775 0.5322 0.5301 0.082 Uiso 1 1 calc R D .
H29D H 0.9727 0.5319 0.5782 0.082 Uiso 1 1 calc R . .
C30B C 0.9547(10) 0.4707(6) 0.4989(9) 0.095(7) Uani 1 1 d . . .
H30C H 0.9437 0.4324 0.5213 0.114 Uiso 1 1 calc R . .
H30D H 0.9169 0.4693 0.4534 0.114 Uiso 1 1 calc R . .
N4B N 0.7244(5) 0.8796(8) 0.4697(4) 0.069(9) Uiso 0.54(3) 1 d PD D 1
O4B O 0.7982(5) 0.8960(7) 0.4756(5) 0.013(3) Uiso 0.54(3) 1 d PD D 1
O5B O 0.6991(7) 0.8844(8) 0.5172(5) 0.049(5) Uiso 0.54(3) 1 d PD D 1
O6B O 0.6720(7) 0.8720(11) 0.4143(5) 0.056(5) Uiso 0.54(3) 1 d PD D 1
N4E N 0.7251(7) 0.8951(8) 0.4719(6) 0.046(7) Uiso 0.46(3) 1 d PD D 2
O4E O 0.7988(7) 0.9145(10) 0.4825(8) 0.030(5) Uiso 0.46(3) 1 d PD D 2
O5E O 0.7117(11) 0.8519(11) 0.5069(10) 0.081(8) Uiso 0.46(3) 1 d PD D 2
O6E O 0.6699(7) 0.9083(10) 0.4191(6) 0.044(5) Uiso 0.46(3) 1 d PD D 2
N5B N 0.8381(6) 0.7326(4) 0.3613(4) 0.041(2) Uani 1 1 d . D .
O7B O 0.9070(4) 0.7146(3) 0.3980(3) 0.0389(17) Uani 1 1 d . . .
O8B O 0.7943(6) 0.7672(5) 0.3829(6) 0.081(3) Uani 1 1 d . . .
O9B O 0.8112(5) 0.7161(4) 0.3057(4) 0.058(2) Uani 1 1 d . . .
O1WB O 1.0478(4) 0.9376(3) 0.6476(3) 0.0291(14) Uani 1 1 d . D .
N6 N 0.4780(4) 0.5289(2) 1.2254(2) 0.0291(17) Uani 1 1 d D . .
O10 O 0.4990(4) 0.5687(3) 1.2704(3) 0.0437(18) Uani 1 1 d D . .
O11 O 0.5005(4) 0.5366(3) 1.1770(3) 0.0383(17) Uani 1 1 d D . .
O12 O 0.4391(4) 0.4794(3) 1.2306(3) 0.0410(17) Uani 1 1 d D . .
O2M O 0.6349(4) 0.7192(4) 0.2633(3) 0.0454(18) Uani 1 1 d D . .
H2M H 0.6792 0.6980 0.2797 0.068 Uiso 1 1 calc R . .
C2M C 0.5913(8) 0.7246(6) 0.3087(6) 0.057(3) Uani 1 1 d D . .
H2M4 H 0.5391 0.6997 0.2936 0.085 Uiso 1 1 calc R . .
H2M5 H 0.5780 0.7695 0.3132 0.085 Uiso 1 1 calc R . .
H2M6 H 0.6269 0.7081 0.3507 0.085 Uiso 1 1 calc R . .
O3M O 1.2075(4) 0.9237(5) 0.6523(3) 0.059(3) Uani 1 1 d D . .
H3M H 1.2145 0.8992 0.6242 0.089 Uiso 1 1 calc R . .
C3M C 1.2650(7) 0.9072(9) 0.7141(5) 0.081(5) Uani 1 1 d D . .
H3M4 H 1.2906 0.8657 0.7115 0.121 Uiso 1 1 calc R . .
H3M5 H 1.2348 0.9047 0.7453 0.121 Uiso 1 1 calc R . .
H3M6 H 1.3090 0.9399 0.7280 0.121 Uiso 1 1 calc R . .
O4M O 0.7622(5) 0.8251(5) 0.9847(5) 0.064(2) Uani 1 1 d D . .
H4M H 0.7532 0.7906 0.9640 0.096 Uiso 1 1 calc R . .
C4M C 0.6860(6) 0.8607(7) 0.9693(7) 0.073(5) Uani 1 1 d D . .
H4M4 H 0.6877 0.8884 1.0057 0.109 Uiso 1 1 calc R . .
H4M5 H 0.6383 0.8312 0.9605 0.109 Uiso 1 1 calc R . .
H4M6 H 0.6796 0.8870 0.9310 0.109 Uiso 1 1 calc R . .
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'
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'
Gd Gd -0.1653 3.9035 '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
O3A Gd1A O3A 61.1(2) . 2_657
O3A Gd1A O1WA 135.72(19) . .
O3A Gd1A O1WA 76.14(18) 2_657 .
O3A Gd1A O4A 77.88(18) . .
O3A Gd1A O4A 136.85(18) 2_657 .
O1WA Gd1A O4A 146.32(19) . .
O3A Gd1A O1A 75.39(18) . .
O3A Gd1A O1A 75.24(18) 2_657 .
O1WA Gd1A O1A 105.62(16) . .
O4A Gd1A O1A 82.42(16) . .
O3A Gd1A O2A 73.96(19) . .
O3A Gd1A O2A 75.32(18) 2_657 .
O1WA Gd1A O2A 85.2(2) . .
O4A Gd1A O2A 107.1(2) . .
O1A Gd1A O2A 144.95(19) . .
O3A Gd1A N1A 138.6(2) . .
O3A Gd1A N1A 132.8(2) 2_657 .
O1WA Gd1A N1A 79.4(2) . .
O4A Gd1A N1A 71.6(2) . .
O1A Gd1A N1A 73.5(2) . .
O2A Gd1A N1A 141.6(2) . .
O3A Gd1A N2A 130.59(19) . .
O3A Gd1A N2A 142.6(2) 2_657 .
O1WA Gd1A N2A 78.27(19) . .
O4A Gd1A N2A 74.8(2) . .
O1A Gd1A N2A 138.5(2) . .
O2A Gd1A N2A 75.8(2) . .
N1A Gd1A N2A 66.7(2) . .
O3A Gd1A Gd1A 41.92(12) . 2_657
O3A Gd1A Gd1A 41.75(12) 2_657 2_657
O1WA Gd1A Gd1A 109.71(13) . 2_657
O4A Gd1A Gd1A 98.38(14) . 2_657
O1A Gd1A Gd1A 42.77(14) . 2_657
O2A Gd1A Gd1A 102.19(12) . 2_657
N1A Gd1A Gd1A 116.12(15) . 2_657
N2A Gd1A Gd1A 171.74(14) . 2_657
O3A Gd1A Gd2A 41.85(13) . .
O3A Gd1A Gd2A 41.88(13) 2_657 .
O1WA Gd1A Gd2A 98.02(16) . .
O4A Gd1A Gd2A 112.19(13) . .
O1A Gd1A Gd2A 103.04(14) . .
O2A Gd1A Gd2A 41.94(13) . .
N1A Gd1A Gd2A 174.71(15) . .
N2A Gd1A Gd2A 117.48(17) . .
Gd1A Gd1A Gd2A 60.271(13) 2_657 .
O2A Gd2A O2A 144.1(3) . 2_657
O2A Gd2A O3A 75.30(18) . 2_657
O2A Gd2A O3A 73.80(19) 2_657 2_657
O2A Gd2A O3A 73.80(19) . .
O2A Gd2A O3A 75.30(18) 2_657 .
O3A Gd2A O3A 60.4(2) 2_657 .
O2A Gd2A O1MA 86.4(2) . 2_657
O2A Gd2A O1MA 102.9(2) 2_657 2_657
O3A Gd2A O1MA 135.10(19) 2_657 2_657
O3A Gd2A O1MA 75.2(2) . 2_657
O2A Gd2A O1MA 102.9(2) . .
O2A Gd2A O1MA 86.4(2) 2_657 .
O3A Gd2A O1MA 75.2(2) 2_657 .
O3A Gd2A O1MA 135.10(19) . .
O1MA Gd2A O1MA 149.6(3) 2_657 .
O2A Gd2A N3A 140.6(2) . 2_657
O2A Gd2A N3A 75.0(2) 2_657 2_657
O3A Gd2A N3A 139.8(2) 2_657 2_657
O3A Gd2A N3A 132.7(2) . 2_657
O1MA Gd2A N3A 76.6(2) 2_657 2_657
O1MA Gd2A N3A 78.1(2) . 2_657
O2A Gd2A N3A 75.0(2) . .
O2A Gd2A N3A 140.6(2) 2_657 .
O3A Gd2A N3A 132.7(2) 2_657 .
O3A Gd2A N3A 139.8(2) . .
O1MA Gd2A N3A 78.1(2) 2_657 .
O1MA Gd2A N3A 76.6(2) . .
N3A Gd2A N3A 67.0(3) 2_657 .
O2A Gd2A Gd1A 42.33(13) . .
O2A Gd2A Gd1A 101.77(14) 2_657 .
O3A Gd2A Gd1A 41.47(12) 2_657 .
O3A Gd2A Gd1A 41.28(12) . .
O1MA Gd2A Gd1A 99.43(15) 2_657 .
O1MA Gd2A Gd1A 106.98(16) . .
N3A Gd2A Gd1A 173.95(16) 2_657 .
N3A Gd2A Gd1A 117.01(16) . .
O2A Gd2A Gd1A 101.77(14) . 2_657
O2A Gd2A Gd1A 42.33(13) 2_657 2_657
O3A Gd2A Gd1A 41.28(12) 2_657 2_657
O3A Gd2A Gd1A 41.47(12) . 2_657
O1MA Gd2A Gd1A 106.98(15) 2_657 2_657
O1MA Gd2A Gd1A 99.43(15) . 2_657
N3A Gd2A Gd1A 117.01(16) 2_657 2_657
N3A Gd2A Gd1A 173.95(16) . 2_657
Gd1A Gd2A Gd1A 59.46(3) . 2_657
C1A O1A Gd1A 132.77(14) . 2_657
C1A O1A Gd1A 132.77(14) . .
Gd1A O1A Gd1A 94.5(3) 2_657 .
C22A O2A Gd2A 132.3(5) . .
C22A O2A Gd1A 131.9(5) . .
Gd2A O2A Gd1A 95.73(18) . .
Gd1A O3A Gd1A 96.33(19) . 2_657
Gd1A O3A Gd2A 96.87(19) . .
Gd1A O3A Gd2A 96.66(18) 2_657 .
Gd1A O3A H3AO 120.4 . .
Gd1A O3A H3AO 120.4 2_657 .
Gd2A O3A H3AO 120.4 . .
C10A N1A C9A 114.5(6) . .
C10A N1A Gd1A 118.1(5) . .
C9A N1A Gd1A 107.5(5) . .
C10A N1A H1A 105.2 . .
C9A N1A H1A 105.2 . .
Gd1A N1A H1A 105.2 . .
C15A N2A C16A 114.6(6) . .
C15A N2A Gd1A 113.9(5) . .
C16A N2A Gd1A 105.1(4) . .
C15A N2A H2A 107.6 . .
C16A N2A H2A 107.6 . .
Gd1A N2A H2A 107.6 . .
C28A N3A C27A 114.3(7) . .
C28A N3A Gd2A 113.7(5) . .
C27A N3A Gd2A 107.0(5) . .
C28A N3A H3A 107.1 . .
C27A N3A H3A 107.1 . .
Gd2A N3A H3A 107.1 . .
O1A C1A C2A 121.4(5) . 2_657
O1A C1A C2A 121.4(5) . .
C2A C1A C2A 117.1(10) 2_657 .
C3A C2A C1A 120.0(8) . .
C3A C2A C9A 121.1(8) . .
C1A C2A C9A 118.8(8) . .
C2A C3A C4A 124.5(9) . .
C2A C3A H3A1 117.7 . .
C4A C3A H3A1 117.7 . .
C3A C4A C3A 113.8(11) . 2_657
C3A C4A C5A 123.1(6) . .
C3A C4A C5A 123.1(6) 2_657 .
C4A C5A C6A 116.7(8) . .
C4A C5A C6A 116.7(8) . 2_657
C6A C5A C6A 126.5(17) . 2_657
C4A C5A C8A 114.5(9) . 2_657
C6A C5A C8A 47.7(8) . 2_657
C6A C5A C8A 107.5(4) 2_657 2_657
C4A C5A C8A 114.5(9) . .
C6A C5A C8A 107.5(4) . .
C6A C5A C8A 47.7(8) 2_657 .
C8A C5A C8A 131.1(18) 2_657 .
C4A C5A C7A 102.9(9) . .
C6A C5A C7A 107.3(4) . .
C6A C5A C7A 60.1(8) 2_657 .
C8A C5A C7A 61.3(7) 2_657 .
C8A C5A C7A 107.2(4) . .
C4A C5A C7A 102.9(9) . 2_657
C6A C5A C7A 60.1(8) . 2_657
C6A C5A C7A 107.3(4) 2_657 2_657
C8A C5A C7A 107.2(4) 2_657 2_657
C8A C5A C7A 61.3(7) . 2_657
C7A C5A C7A 154.1(18) . 2_657
C5A C6A H6A1 109.5 . .
C5A C6A H6A2 109.5 . .
H6A1 C6A H6A2 109.5 . .
C5A C6A H6A3 109.5 . .
H6A1 C6A H6A3 109.5 . .
H6A2 C6A H6A3 109.5 . .
C5A C7A H7A1 109.5 . .
C5A C7A H7A2 109.5 . .
H7A1 C7A H7A2 109.5 . .
C5A C7A H7A3 109.5 . .
H7A1 C7A H7A3 109.5 . .
H7A2 C7A H7A3 109.5 . .
C5A C8A H8A1 109.5 . .
C5A C8A H8A2 109.5 . .
H8A1 C8A H8A2 109.5 . .
C5A C8A H8A3 109.5 . .
H8A1 C8A H8A3 109.5 . .
H8A2 C8A H8A3 109.5 . .
N1A C9A C2A 107.5(6) . .
N1A C9A H9A1 110.2 . .
C2A C9A H9A1 110.2 . .
N1A C9A H9A2 110.2 . .
C2A C9A H9A2 110.2 . .
H9A1 C9A H9A2 108.5 . .
N1A C10A C15A 107.8(6) . .
N1A C10A C11A 112.8(7) . .
C15A C10A C11A 111.2(7) . .
N1A C10A H10A 108.3 . .
C15A C10A H10A 108.3 . .
C11A C10A H10A 108.3 . .
C10A C11A C12A 112.0(8) . .
C10A C11A H11A 109.2 . .
C12A C11A H11A 109.2 . .
C10A C11A H11B 109.2 . .
C12A C11A H11B 109.2 . .
H11A C11A H11B 107.9 . .
C13A C12A C11A 109.5(8) . .
C13A C12A H12A 109.8 . .
C11A C12A H12A 109.8 . .
C13A C12A H12B 109.8 . .
C11A C12A H12B 109.8 . .
H12A C12A H12B 108.2 . .
C12A C13A C14A 111.5(8) . .
C12A C13A H13A 109.3 . .
C14A C13A H13A 109.3 . .
C12A C13A H13B 109.3 . .
C14A C13A H13B 109.3 . .
H13A C13A H13B 108.0 . .
C13A C14A C15A 111.4(8) . .
C13A C14A H14A 109.3 . .
C15A C14A H14A 109.3 . .
C13A C14A H14B 109.3 . .
C15A C14A H14B 109.3 . .
H14A C14A H14B 108.0 . .
N2A C15A C10A 108.6(6) . .
N2A C15A C14A 113.9(8) . .
C10A C15A C14A 110.7(7) . .
N2A C15A H15A 107.8 . .
C10A C15A H15A 107.8 . .
C14A C15A H15A 107.8 . .
N2A C16A C17A 110.2(6) . .
N2A C16A H16A 109.6 . .
C17A C16A H16A 109.6 . .
N2A C16A H16B 109.6 . .
C17A C16A H16B 109.6 . .
H16A C16A H16B 108.1 . .
C18A C17A C22A 120.2(9) . .
C18A C17A C16A 118.9(8) . .
C22A C17A C16A 120.8(7) . .
C19A C18A C17A 123.1(9) . .
C19A C18A H18A 118.5 . .
C17A C18A H18A 118.5 . .
C18A C19A C20A 116.7(8) . .
C18A C19A C23A 122.8(9) . .
C20A C19A C23A 120.3(9) . .
C21A C20A C19A 121.5(9) . .
C21A C20A H20A 119.3 . .
C19A C20A H20A 119.3 . .
C22A C21A C20A 120.5(8) . .
C22A C21A C27A 121.0(7) . .
C20A C21A C27A 118.5(8) . .
O2A C22A C21A 122.3(7) . .
O2A C22A C17A 119.8(8) . .
C21A C22A C17A 117.9(7) . .
C25A C23A C24Q 128.2(12) . .
C25A C23A C26Q 63.0(11) . .
C24Q C23A C26Q 107.4(4) . .
C25A C23A C24A 107.4(4) . .
C24Q C23A C24A 40.8(10) . .
C26Q C23A C24A 134.7(13) . .
C25A C23A C25Q 45.2(11) . .
C24Q C23A C25Q 107.4(4) . .
C26Q C23A C25Q 107.3(4) . .
C24A C23A C25Q 70.1(10) . .
C25A C23A C26A 107.4(4) . .
C24Q C23A C26A 67.6(10) . .
C26Q C23A C26A 47.3(10) . .
C24A C23A C26A 107.3(4) . .
C25Q C23A C26A 143.3(15) . .
C25A C23A C19A 110.8(9) . .
C24Q C23A C19A 119.2(11) . .
C26Q C23A C19A 111.4(13) . .
C24A C23A C19A 113.1(10) . .
C25Q C23A C19A 103.5(14) . .
C26A C23A C19A 110.4(10) . .
C23A C24A H24A 109.5 . .
C23A C24A H24B 109.5 . .
H24A C24A H24B 109.5 . .
C23A C24A H24C 109.5 . .
H24A C24A H24C 109.5 . .
H24B C24A H24C 109.5 . .
C23A C25A H25A 109.5 . .
C23A C25A H25B 109.5 . .
H25A C25A H25B 109.5 . .
C23A C25A H25C 109.5 . .
H25A C25A H25C 109.5 . .
H25B C25A H25C 109.5 . .
C23A C26A H26A 109.5 . .
C23A C26A H26B 109.5 . .
H26A C26A H26B 109.5 . .
C23A C26A H26C 109.5 . .
H26A C26A H26C 109.5 . .
H26B C26A H26C 109.5 . .
C23A C24Q H24D 109.5 . .
C23A C24Q H24E 109.5 . .
H24D C24Q H24E 109.5 . .
C23A C24Q H24F 109.5 . .
H24D C24Q H24F 109.5 . .
H24E C24Q H24F 109.5 . .
C23A C25Q H25D 109.5 . .
C23A C25Q H25E 109.5 . .
H25D C25Q H25E 109.5 . .
C23A C25Q H25F 109.5 . .
H25D C25Q H25F 109.5 . .
H25E C25Q H25F 109.5 . .
C23A C26Q H26D 109.5 . .
C23A C26Q H26E 109.5 . .
H26D C26Q H26E 109.5 . .
C23A C26Q H26F 109.5 . .
H26D C26Q H26F 109.5 . .
H26E C26Q H26F 109.5 . .
N3A C27A C21A 109.8(7) . .
N3A C27A H27A 109.7 . .
C21A C27A H27A 109.7 . .
N3A C27A H27B 109.7 . .
C21A C27A H27B 109.7 . .
H27A C27A H27B 108.2 . .
N3A C28A C29A 112.9(7) . .
N3A C28A C28A 106.5(7) . 2_657
C29A C28A C28A 111.1(7) . 2_657
N3A C28A H28A 108.7 . .
C29A C28A H28A 108.7 . .
C28A C28A H28A 108.7 2_657 .
C30A C29A C28A 113.1(9) . .
C30A C29A H29A 109.0 . .
C28A C29A H29A 109.0 . .
C30A C29A H29B 109.0 . .
C28A C29A H29B 109.0 . .
H29A C29A H29B 107.8 . .
C30A C30A C29A 111.4(9) 2_657 .
C30A C30A H30A 109.4 2_657 .
C29A C30A H30A 109.4 . .
C30A C30A H30B 109.4 2_657 .
C29A C30A H30B 109.4 . .
H30A C30A H30B 108.0 . .
O6Q N4A O5Q 120.04(14) . .
O6Q N4A O5A 108.9(11) . .
O5Q N4A O5A 33.9(9) . .
O6Q N4A O6A 29.5(10) . .
O5Q N4A O6A 112.4(10) . .
O5A N4A O6A 120.02(15) . .
O6Q N4A O4A 120.03(14) . .
O5Q N4A O4A 119.92(14) . .
O5A N4A O4A 119.90(15) . .
O6A N4A O4A 119.81(15) . .
N4A O4A Gd1A 142.3(3) . .
C1MA O1MA Gd2A 126.5(6) . .
C1MA O1MA H1MA 109.5 . .
Gd2A O1MA H1MA 102.4 . .
O1MA C1MA H1M1 109.5 . .
O1MA C1MA H1M2 109.5 . .
H1M1 C1MA H1M2 109.5 . .
O1MA C1MA H1M3 109.5 . .
H1M1 C1MA H1M3 109.5 . .
H1M2 C1MA H1M3 109.5 . .
O4E Gd1B O3B 136.9(5) . 2_756
O4E Gd1B O2B 93.0(5) . .
O3B Gd1B O2B 74.97(19) 2_756 .
O4E Gd1B O3B 76.5(5) . .
O3B Gd1B O3B 60.5(2) 2_756 .
O2B Gd1B O3B 74.9(2) . .
O4E Gd1B O4B 10.0(5) . .
O3B Gd1B O4B 128.9(4) 2_756 .
O2B Gd1B O4B 84.5(4) . .
O3B Gd1B O4B 69.2(3) . .
O4E Gd1B O1B 96.3(4) . .
O3B Gd1B O1B 75.43(18) 2_756 .
O2B Gd1B O1B 145.2(2) . .
O3B Gd1B O1B 74.91(18) . .
O4B Gd1B O1B 100.4(3) . .
O4E Gd1B O1WB 146.5(6) . .
O3B Gd1B O1WB 75.44(19) 2_756 .
O2B Gd1B O1WB 106.9(2) . .
O3B Gd1B O1WB 134.07(19) . .
O4B Gd1B O1WB 155.6(4) . .
O1B Gd1B O1WB 82.65(17) . .
O4E Gd1B N2B 79.5(4) . .
O3B Gd1B N2B 132.6(2) 2_756 .
O2B Gd1B N2B 73.9(2) . .
O3B Gd1B N2B 139.2(2) . .
O4B Gd1B N2B 82.2(3) . .
O1B Gd1B N2B 140.7(2) . .
O1WB Gd1B N2B 80.5(2) . .
O4E Gd1B N1B 70.3(6) . .
O3B Gd1B N1B 141.6(2) 2_756 .
O2B Gd1B N1B 139.6(2) . .
O3B Gd1B N1B 131.4(2) . .
O4B Gd1B N1B 80.2(4) . .
O1B Gd1B N1B 74.7(2) . .
O1WB Gd1B N1B 77.3(2) . .
N2B Gd1B N1B 67.1(2) . .
O4E Gd1B Gd1B 105.0(4) . 2_756
O3B Gd1B Gd1B 42.08(13) 2_756 2_756
O2B Gd1B Gd1B 102.80(14) . 2_756
O3B Gd1B Gd1B 41.46(12) . 2_756
O4B Gd1B Gd1B 101.8(3) . 2_756
O1B Gd1B Gd1B 42.44(14) . 2_756
O1WB Gd1B Gd1B 96.68(15) . 2_756
N2B Gd1B Gd1B 174.71(15) . 2_756
N1B Gd1B Gd1B 116.78(16) . 2_756
O4E Gd1B Gd2B 103.5(6) . .
O3B Gd1B Gd2B 41.38(12) 2_756 .
O2B Gd1B Gd2B 42.68(14) . .
O3B Gd1B Gd2B 41.47(12) . .
O4B Gd1B Gd2B 93.7(4) . .
O1B Gd1B Gd2B 102.56(14) . .
O1WB Gd1B Gd2B 109.43(15) . .
N2B Gd1B Gd2B 116.46(17) . .
N1B Gd1B Gd2B 172.54(17) . .
Gd1B Gd1B Gd2B 60.119(11) 2_756 .
O3B Gd2B O3B 60.6(2) 2_756 .
O3B Gd2B O7B 138.6(2) 2_756 .
O3B Gd2B O7B 80.4(2) . .
O3B Gd2B O7B 80.4(2) 2_756 2_756
O3B Gd2B O7B 138.6(2) . 2_756
O7B Gd2B O7B 140.5(3) . 2_756
O3B Gd2B O2B 74.5(2) 2_756 2_756
O3B Gd2B O2B 74.12(19) . 2_756
O7B Gd2B O2B 82.5(2) . 2_756
O7B Gd2B O2B 109.9(2) 2_756 2_756
O3B Gd2B O2B 74.12(19) 2_756 .
O3B Gd2B O2B 74.5(2) . .
O7B Gd2B O2B 109.9(2) . .
O7B Gd2B O2B 82.5(2) 2_756 .
O2B Gd2B O2B 143.6(3) 2_756 .
O3B Gd2B N3B 139.9(2) 2_756 .
O3B Gd2B N3B 132.7(2) . .
O7B Gd2B N3B 76.8(2) . .
O7B Gd2B N3B 70.4(2) 2_756 .
O2B Gd2B N3B 140.9(3) 2_756 .
O2B Gd2B N3B 75.3(3) . .
O3B Gd2B N3B 132.7(2) 2_756 2_756
O3B Gd2B N3B 139.9(2) . 2_756
O7B Gd2B N3B 70.4(2) . 2_756
O7B Gd2B N3B 76.8(2) 2_756 2_756
O2B Gd2B N3B 75.3(3) 2_756 2_756
O2B Gd2B N3B 140.9(3) . 2_756
N3B Gd2B N3B 66.7(4) . 2_756
O3B Gd2B Gd1B 41.87(13) 2_756 2_756
O3B Gd2B Gd1B 41.17(12) . 2_756
O7B Gd2B Gd1B 99.51(17) . 2_756
O7B Gd2B Gd1B 114.84(17) 2_756 2_756
O2B Gd2B Gd1B 41.90(15) 2_756 2_756
O2B Gd2B Gd1B 101.66(15) . 2_756
N3B Gd2B Gd1B 173.78(18) . 2_756
N3B Gd2B Gd1B 117.0(2) 2_756 2_756
O3B Gd2B Gd1B 41.17(12) 2_756 .
O3B Gd2B Gd1B 41.87(13) . .
O7B Gd2B Gd1B 114.84(17) . .
O7B Gd2B Gd1B 99.51(17) 2_756 .
O2B Gd2B Gd1B 101.66(15) 2_756 .
O2B Gd2B Gd1B 41.90(15) . .
N3B Gd2B Gd1B 117.0(2) . .
N3B Gd2B Gd1B 173.78(18) 2_756 .
Gd1B Gd2B Gd1B 59.76(2) 2_756 .
C1B O1B Gd1B 132.44(14) . 2_756
C1B O1B Gd1B 132.44(14) . .
Gd1B O1B Gd1B 95.1(3) 2_756 .
C22B O2B Gd1B 134.0(5) . .
C22B O2B Gd2B 130.5(5) . .
Gd1B O2B Gd2B 95.4(2) . .
Gd1B O3B Gd2B 97.45(17) 2_756 .
Gd1B O3B Gd1B 96.46(19) 2_756 .
Gd2B O3B Gd1B 96.66(19) . .
Gd1B O3B H3BO 120.2 2_756 .
Gd2B O3B H3BO 120.2 . .
Gd1B O3B H3BO 120.2 . .
C10B N1B C9B 113.8(7) . .
C10B N1B Gd1B 114.7(5) . .
C9B N1B Gd1B 107.0(5) . .
C10B N1B H1B 106.9 . .
C9B N1B H1B 106.9 . .
Gd1B N1B H1B 106.9 . .
C15B N2B C16B 114.4(6) . .
C15B N2B Gd1B 116.5(5) . .
C16B N2B Gd1B 106.1(5) . .
C15B N2B H2B 106.4 . .
C16B N2B H2B 106.4 . .
Gd1B N2B H2B 106.4 . .
C27B N3B C28B 114.8(8) . .
C27B N3B Gd2B 107.3(5) . .
C28B N3B Gd2B 115.5(7) . .
C27B N3B H3B 106.2 . .
C28B N3B H3B 106.2 . .
Gd2B N3B H3B 106.2 . .
O1B C1B C2B 122.3(6) . 2_756
O1B C1B C2B 122.3(6) . .
C2B C1B C2B 115.3(13) 2_756 .
C3B C2B C1B 121.7(11) . .
C3B C2B C9B 119.4(9) . .
C1B C2B C9B 118.8(9) . .
C2B C3B C4B 123.2(12) . .
C2B C3B H3B1 118.4 . .
C4B C3B H3B1 118.4 . .
C3B C4B C3B 114.9(16) . 2_756
C3B C4B C5B 122.5(8) . .
C3B C4B C5B 122.5(8) 2_756 .
C6B C5B C6B 130(2) 2_756 .
C6B C5B C8B 107.5(4) 2_756 2_756
C6B C5B C8B 47.2(9) . 2_756
C6B C5B C8B 47.2(9) 2_756 .
C6B C5B C8B 107.5(4) . .
C8B C5B C8B 126(2) 2_756 .
C6B C5B C7B 61.5(8) 2_756 .
C6B C5B C7B 107.3(4) . .
C8B C5B C7B 60.6(8) 2_756 .
C8B C5B C7B 107.3(4) . .
C6B C5B C7B 107.3(4) 2_756 2_756
C6B C5B C7B 61.5(8) . 2_756
C8B C5B C7B 107.3(4) 2_756 2_756
C8B C5B C7B 60.6(8) . 2_756
C7B C5B C7B 155(2) . 2_756
C6B C5B C4B 114.8(11) 2_756 .
C6B C5B C4B 114.8(11) . .
C8B C5B C4B 116.9(11) 2_756 .
C8B C5B C4B 116.9(11) . .
C7B C5B C4B 102.4(10) . .
C7B C5B C4B 102.4(10) 2_756 .
C5B C6B H6B1 109.5 . .
C5B C6B H6B2 109.5 . .
H6B1 C6B H6B2 109.5 . .
C5B C6B H6B3 109.5 . .
H6B1 C6B H6B3 109.5 . .
H6B2 C6B H6B3 109.5 . .
C5B C7B H7B1 109.5 . .
C5B C7B H7B2 109.5 . .
H7B1 C7B H7B2 109.5 . .
C5B C7B H7B3 109.5 . .
H7B1 C7B H7B3 109.5 . .
H7B2 C7B H7B3 109.5 . .
C5B C8B H8B1 109.5 . .
C5B C8B H8B2 109.5 . .
H8B1 C8B H8B2 109.5 . .
C5B C8B H8B3 109.5 . .
H8B1 C8B H8B3 109.5 . .
H8B2 C8B H8B3 109.5 . .
C2B C9B N1B 109.9(8) . .
C2B C9B H9B1 109.7 . .
N1B C9B H9B1 109.7 . .
C2B C9B H9B2 109.7 . .
N1B C9B H9B2 109.7 . .
H9B1 C9B H9B2 108.2 . .
N1B C10B C15B 107.9(6) . .
N1B C10B C11B 113.0(7) . .
C15B C10B C11B 110.7(7) . .
N1B C10B H10B 108.4 . .
C15B C10B H10B 108.4 . .
C11B C10B H10B 108.4 . .
C12B C11B C10B 111.3(8) . .
C12B C11B H11C 109.4 . .
C10B C11B H11C 109.4 . .
C12B C11B H11D 109.4 . .
C10B C11B H11D 109.4 . .
H11C C11B H11D 108.0 . .
C13B C12B C11B 111.6(7) . .
C13B C12B H12C 109.3 . .
C11B C12B H12C 109.3 . .
C13B C12B H12D 109.3 . .
C11B C12B H12D 109.3 . .
H12C C12B H12D 108.0 . .
C12B C13B C14B 110.8(8) . .
C12B C13B H13C 109.5 . .
C14B C13B H13C 109.5 . .
C12B C13B H13D 109.5 . .
C14B C13B H13D 109.5 . .
H13C C13B H13D 108.1 . .
C15B C14B C13B 111.9(7) . .
C15B C14B H14C 109.2 . .
C13B C14B H14C 109.2 . .
C15B C14B H14D 109.2 . .
C13B C14B H14D 109.2 . .
H14C C14B H14D 107.9 . .
N2B C15B C14B 113.4(7) . .
N2B C15B C10B 108.8(6) . .
C14B C15B C10B 110.9(7) . .
N2B C15B H15B 107.9 . .
C14B C15B H15B 107.9 . .
C10B C15B H15B 107.9 . .
N2B C16B C17B 109.7(6) . .
N2B C16B H16C 109.7 . .
C17B C16B H16C 109.7 . .
N2B C16B H16D 109.7 . .
C17B C16B H16D 109.7 . .
H16C C16B H16D 108.2 . .
C18B C17B C22B 119.8(9) . .
C18B C17B C16B 120.5(9) . .
C22B C17B C16B 119.6(8) . .
C19B C18B C17B 123.9(10) . .
C19B C18B H18B 118.0 . .
C17B C18B H18B 118.0 . .
C18B C19B C20B 115.6(9) . .
C18B C19B C23B 121.6(10) . .
C20B C19B C23B 122.9(10) . .
C21B C20B C19B 121.6(10) . .
C21B C20B H20B 119.2 . .
C19B C20B H20B 119.2 . .
C20B C21B C22B 121.7(10) . .
C20B C21B C27B 119.1(9) . .
C22B C21B C27B 119.0(8) . .
O2B C22B C17B 120.0(8) . .
O2B C22B C21B 122.6(8) . .
C17B C22B C21B 117.3(8) . .
C19B C23B C24E 119.1(19) . .
C19B C23B C25B 114.3(11) . .
C24E C23B C25B 125.1(19) . .
C19B C23B C26E 113.2(18) . .
C24E C23B C26E 107.4(4) . .
C25B C23B C26E 35.7(15) . .
C19B C23B C24B 109.6(12) . .
C24E C23B C24B 65.9(15) . .
C25B C23B C24B 107.4(4) . .
C26E C23B C24B 132.9(19) . .
C19B C23B C25E 102(2) . .
C24E C23B C25E 107.4(4) . .
C25B C23B C25E 72.3(15) . .
C26E C23B C25E 107.3(4) . .
C24B C23B C25E 43.9(15) . .
C19B C23B C26B 110.6(13) . .
C24E C23B C26B 41.9(14) . .
C25B C23B C26B 107.3(4) . .
C26E C23B C26B 75.2(14) . .
C24B C23B C26B 107.3(4) . .
C25E C23B C26B 143.8(19) . .
C23B C24B H24G 109.5 . .
C23B C24B H24H 109.5 . .
H24G C24B H24H 109.5 . .
C23B C24B H24I 109.5 . .
H24G C24B H24I 109.5 . .
H24H C24B H24I 109.5 . .
C23B C25B H25G 109.5 . .
C23B C25B H25H 109.5 . .
H25G C25B H25H 109.5 . .
C23B C25B H25I 109.5 . .
H25G C25B H25I 109.5 . .
H25H C25B H25I 109.5 . .
C23B C26B H26G 109.5 . .
C23B C26B H26H 109.5 . .
H26G C26B H26H 109.5 . .
C23B C26B H26I 109.5 . .
H26G C26B H26I 109.5 . .
H26H C26B H26I 109.5 . .
C23B C24E H24J 109.5 . .
C23B C24E H24K 109.5 . .
H24J C24E H24K 109.5 . .
C23B C24E H24L 109.5 . .
H24J C24E H24L 109.5 . .
H24K C24E H24L 109.5 . .
C23B C25E H25J 109.5 . .
C23B C25E H25K 109.5 . .
H25J C25E H25K 109.5 . .
C23B C25E H25L 109.5 . .
H25J C25E H25L 109.5 . .
H25K C25E H25L 109.5 . .
C23B C26E H26J 109.5 . .
C23B C26E H26K 109.5 . .
H26J C26E H26K 109.5 . .
C23B C26E H26L 109.5 . .
H26J C26E H26L 109.5 . .
H26K C26E H26L 109.5 . .
N3B C27B C21B 110.5(7) . .
N3B C27B H27C 109.6 . .
C21B C27B H27C 109.6 . .
N3B C27B H27D 109.6 . .
C21B C27B H27D 109.6 . .
H27C C27B H27D 108.1 . .
N3B C28B C28B 108.7(6) . 2_756
N3B C28B C29B 112.6(10) . .
C28B C28B C29B 110.2(8) 2_756 .
N3B C28B H28B 108.4 . .
C28B C28B H28B 108.4 2_756 .
C29B C28B H28B 108.4 . .
C28B C29B C30B 111.4(13) . .
C28B C29B H29C 109.3 . .
C30B C29B H29C 109.3 . .
C28B C29B H29D 109.3 . .
C30B C29B H29D 109.3 . .
H29C C29B H29D 108.0 . .
C30B C30B C29B 109.5(10) 2_756 .
C30B C30B H30C 109.8 2_756 .
C29B C30B H30C 109.8 . .
C30B C30B H30D 109.8 2_756 .
C29B C30B H30D 109.8 . .
H30C C30B H30D 108.2 . .
O4B N4B O6B 119.4(2) . .
O4B N4B O5B 119.4(2) . .
O6B N4B O5B 119.5(2) . .
N4B O4B Gd1B 142.8(6) . .
O6E N4E O4E 119.1(4) . .
O6E N4E O5E 119.8(4) . .
O4E N4E O5E 119.2(4) . .
N4E O4E Gd1B 142.8(8) . .
O9B N5B O7B 122.2(11) . .
O9B N5B O8B 119.0(10) . .
O7B N5B O8B 118.7(9) . .
N5B O7B Gd2B 133.4(7) . .
O10 N6 O12 119.98(14) . .
O10 N6 O11 119.94(14) . .
O12 N6 O11 119.93(14) . .
C2M O2M H2M 109.5 . .
O2M C2M H2M4 109.5 . .
O2M C2M H2M5 109.5 . .
H2M4 C2M H2M5 109.5 . .
O2M C2M H2M6 109.5 . .
H2M4 C2M H2M6 109.5 . .
H2M5 C2M H2M6 109.5 . .
C3M O3M H3M 109.5 . .
O3M C3M H3M4 109.5 . .
O3M C3M H3M5 109.5 . .
H3M4 C3M H3M5 109.5 . .
O3M C3M H3M6 109.5 . .
H3M4 C3M H3M6 109.5 . .
H3M5 C3M H3M6 109.5 . .
C4M O4M H4M 109.5 . .
O4M C4M H4M4 109.5 . .
O4M C4M H4M5 109.5 . .
H4M4 C4M H4M5 109.5 . .
O4M C4M H4M6 109.5 . .
H4M4 C4M H4M6 109.5 . .
H4M5 C4M H4M6 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1A O3A 2.376(5) .
Gd1A O3A 2.384(5) 2_657
Gd1A O1WA 2.408(6) .
Gd1A O4A 2.415(5) .
Gd1A O1A 2.415(5) .
Gd1A O2A 2.420(6) .
Gd1A N1A 2.483(7) .
Gd1A N2A 2.552(6) .
Gd1A Gd1A 3.5461(15) 2_657
Gd1A Gd2A 3.5755(9) .
Gd2A O2A 2.402(5) .
Gd2A O2A 2.402(5) 2_657
Gd2A O3A 2.403(6) 2_657
Gd2A O3A 2.403(6) .
Gd2A O1MA 2.429(6) 2_657
Gd2A O1MA 2.429(6) .
Gd2A N3A 2.558(7) 2_657
Gd2A N3A 2.558(7) .
Gd2A Gd1A 3.5755(9) 2_657
O1A C1A 1.371(13) .
O1A Gd1A 2.415(5) 2_657
O2A C22A 1.374(9) .
O3A Gd1A 2.384(5) 2_657
O3A H3AO 1.0000 .
N1A C10A 1.500(9) .
N1A C9A 1.512(10) .
N1A H1A 0.9300 .
N2A C15A 1.480(12) .
N2A C16A 1.490(10) .
N2A H2A 0.9300 .
N3A C28A 1.489(11) .
N3A C27A 1.492(11) .
N3A H3A 0.9300 .
C1A C2A 1.400(10) 2_657
C1A C2A 1.400(10) .
C2A C3A 1.375(13) .
C2A C9A 1.518(11) .
C3A C4A 1.385(11) .
C3A H3A1 0.9500 .
C4A C3A 1.385(11) 2_657
C4A C5A 1.482(18) .
C5A C6A 1.528(2) .
C5A C6A 1.528(2) 2_657
C5A C8A 1.530(2) 2_657
C5A C8A 1.530(2) .
C5A C7A 1.533(2) .
C5A C7A 1.533(2) 2_657
C6A H6A1 0.9800 .
C6A H6A2 0.9800 .
C6A H6A3 0.9800 .
C7A H7A1 0.9800 .
C7A H7A2 0.9800 .
C7A H7A3 0.9800 .
C8A H8A1 0.9800 .
C8A H8A2 0.9800 .
C8A H8A3 0.9800 .
C9A H9A1 0.9900 .
C9A H9A2 0.9900 .
C10A C15A 1.512(12) .
C10A C11A 1.519(12) .
C10A H10A 1.0000 .
C11A C12A 1.543(12) .
C11A H11A 0.9900 .
C11A H11B 0.9900 .
C12A C13A 1.524(15) .
C12A H12A 0.9900 .
C12A H12B 0.9900 .
C13A C14A 1.525(14) .
C13A H13A 0.9900 .
C13A H13B 0.9900 .
C14A C15A 1.535(10) .
C14A H14A 0.9900 .
C14A H14B 0.9900 .
C15A H15A 1.0000 .
C16A C17A 1.495(13) .
C16A H16A 0.9900 .
C16A H16B 0.9900 .
C17A C18A 1.383(11) .
C17A C22A 1.403(12) .
C18A C19A 1.369(15) .
C18A H18A 0.9500 .
C19A C20A 1.406(14) .
C19A C23A 1.539(11) .
C20A C21A 1.399(11) .
C20A H20A 0.9500 .
C21A C22A 1.390(12) .
C21A C27A 1.500(12) .
C23A C25A 1.528(2) .
C23A C24Q 1.529(2) .
C23A C26Q 1.530(2) .
C23A C24A 1.530(2) .
C23A C25Q 1.530(2) .
C23A C26A 1.530(2) .
C24A H24A 0.9800 .
C24A H24B 0.9800 .
C24A H24C 0.9800 .
C25A H25A 0.9800 .
C25A H25B 0.9800 .
C25A H25C 0.9800 .
C26A H26A 0.9800 .
C26A H26B 0.9800 .
C26A H26C 0.9800 .
C24Q H24D 0.9800 .
C24Q H24E 0.9800 .
C24Q H24F 0.9800 .
C25Q H25D 0.9800 .
C25Q H25E 0.9800 .
C25Q H25F 0.9800 .
C26Q H26D 0.9800 .
C26Q H26E 0.9800 .
C26Q H26F 0.9800 .
C27A H27A 0.9900 .
C27A H27B 0.9900 .
C28A C29A 1.529(13) .
C28A C28A 1.548(18) 2_657
C28A H28A 1.0000 .
C29A C30A 1.515(14) .
C29A H29A 0.9900 .
C29A H29B 0.9900 .
C30A C30A 1.50(2) 2_657
C30A H30A 0.9900 .
C30A H30B 0.9900 .
N4A O6Q 1.252(3) .
N4A O5Q 1.252(3) .
N4A O5A 1.252(3) .
N4A O6A 1.252(3) .
N4A O4A 1.253(3) .
O1MA C1MA 1.424(7) .
O1MA H1MA 0.8400 .
C1MA H1M1 0.9800 .
C1MA H1M2 0.9800 .
C1MA H1M3 0.9800 .
Gd1B O4E 2.353(11) .
Gd1B O3B 2.365(5) 2_756
Gd1B O2B 2.390(6) .
Gd1B O3B 2.394(5) .
Gd1B O4B 2.399(9) .
Gd1B O1B 2.405(5) .
Gd1B O1WB 2.417(6) .
Gd1B N2B 2.492(6) .
Gd1B N1B 2.533(7) .
Gd1B Gd1B 3.5497(11) 2_756
Gd1B Gd2B 3.5625(8) .
Gd2B O3B 2.375(5) 2_756
Gd2B O3B 2.375(5) .
Gd2B O7B 2.408(6) .
Gd2B O7B 2.408(6) 2_756
Gd2B O2B 2.426(6) 2_756
Gd2B O2B 2.426(6) .
Gd2B N3B 2.530(7) .
Gd2B N3B 2.530(7) 2_756
Gd2B Gd1B 3.5625(8) 2_756
O1B C1B 1.334(16) .
O1B Gd1B 2.405(5) 2_756
O2B C22B 1.376(9) .
O3B Gd1B 2.365(5) 2_756
O3B H3BO 1.0000 .
N1B C10B 1.475(10) .
N1B C9B 1.501(12) .
N1B H1B 0.9300 .
N2B C15B 1.473(11) .
N2B C16B 1.494(10) .
N2B H2B 0.9300 .
N3B C27B 1.466(13) .
N3B C28B 1.486(13) .
N3B H3B 0.9300 .
C1B C2B 1.422(12) 2_756
C1B C2B 1.422(12) .
C2B C3B 1.361(16) .
C2B C9B 1.481(14) .
C3B C4B 1.406(15) .
C3B H3B1 0.9500 .
C4B C3B 1.406(15) 2_756
C4B C5B 1.54(2) .
C5B C6B 1.529(2) 2_756
C5B C6B 1.529(2) .
C5B C8B 1.529(2) 2_756
C5B C8B 1.529(2) .
C5B C7B 1.531(2) .
C5B C7B 1.531(2) 2_756
C6B H6B1 0.9800 .
C6B H6B2 0.9800 .
C6B H6B3 0.9800 .
C7B H7B1 0.9800 .
C7B H7B2 0.9800 .
C7B H7B3 0.9800 .
C8B H8B1 0.9800 .
C8B H8B2 0.9800 .
C8B H8B3 0.9800 .
C9B H9B1 0.9900 .
C9B H9B2 0.9900 .
C10B C15B 1.529(11) .
C10B C11B 1.551(12) .
C10B H10B 1.0000 .
C11B C12B 1.533(12) .
C11B H11C 0.9900 .
C11B H11D 0.9900 .
C12B C13B 1.517(13) .
C12B H12C 0.9900 .
C12B H12D 0.9900 .
C13B C14B 1.531(13) .
C13B H13C 0.9900 .
C13B H13D 0.9900 .
C14B C15B 1.522(11) .
C14B H14C 0.9900 .
C14B H14D 0.9900 .
C15B H15B 1.0000 .
C16B C17B 1.499(12) .
C16B H16C 0.9900 .
C16B H16D 0.9900 .
C17B C18B 1.390(13) .
C17B C22B 1.398(12) .
C18B C19B 1.377(15) .
C18B H18B 0.9500 .
C19B C20B 1.417(17) .
C19B C23B 1.517(13) .
C20B C21B 1.375(14) .
C20B H20B 0.9500 .
C21B C22B 1.402(13) .
C21B C27B 1.512(15) .
C23B C24E 1.529(2) .
C23B C25B 1.530(2) .
C23B C26E 1.530(2) .
C23B C24B 1.530(2) .
C23B C25E 1.530(2) .
C23B C26B 1.530(2) .
C24B H24G 0.9800 .
C24B H24H 0.9800 .
C24B H24I 0.9800 .
C25B H25G 0.9800 .
C25B H25H 0.9800 .
C25B H25I 0.9800 .
C26B H26G 0.9800 .
C26B H26H 0.9800 .
C26B H26I 0.9800 .
C24E H24J 0.9800 .
C24E H24K 0.9800 .
C24E H24L 0.9800 .
C25E H25J 0.9800 .
C25E H25K 0.9800 .
C25E H25L 0.9800 .
C26E H26J 0.9800 .
C26E H26K 0.9800 .
C26E H26L 0.9800 .
C27B H27C 0.9900 .
C27B H27D 0.9900 .
C28B C28B 1.50(2) 2_756
C28B C29B 1.541(16) .
C28B H28B 1.0000 .
C29B C30B 1.55(2) .
C29B H29C 0.9900 .
C29B H29D 0.9900 .
C30B C30B 1.51(4) 2_756
C30B H30C 0.9900 .
C30B H30D 0.9900 .
N4B O4B 1.253(3) .
N4B O6B 1.253(3) .
N4B O5B 1.254(3) .
N4E O6E 1.253(3) .
N4E O4E 1.253(3) .
N4E O5E 1.253(3) .
N5B O9B 1.203(11) .
N5B O7B 1.232(11) .
N5B O8B 1.235(14) .
N6 O10 1.250(3) .
N6 O12 1.251(3) .
N6 O11 1.251(3) .
O2M C2M 1.423(7) .
O2M H2M 0.8400 .
C2M H2M4 0.9800 .
C2M H2M5 0.9800 .
C2M H2M6 0.9800 .
O3M C3M 1.423(7) .
O3M H3M 0.8400 .
C3M H3M4 0.9800 .
C3M H3M5 0.9800 .
C3M H3M6 0.9800 .
O4M C4M 1.423(7) .
O4M H4M 0.8400 .
C4M H4M4 0.9800 .
C4M H4M5 0.9800 .
C4M H4M6 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3A H3AO O6A 1.00 2.12 2.940(14) 138 .
O3A H3AO O6Q 1.00 1.96 2.799(11) 140 .
O3A H3AO O11 1.00 2.31 3.021(7) 127 2_657
N3A H3A O4M 0.93 2.49 3.369(12) 157 4_647
O1MA H1MA O11 0.84 1.84 2.681(8) 175 .
O3B H3BO O8B 1.00 2.29 2.976(10) 125 .
O3B H3BO O3M 1.00 2.32 3.144(9) 139 2_756
N2B H2B O5B 0.93 2.25 3.034(14) 142 .
N2B H2B O5E 0.93 2.35 3.16(2) 145 .
O2M H2M O9B 0.84 2.14 2.803(11) 136 .
O3M H3M O4B 0.84 2.13 2.837(13) 142 2_756
O3M H3M O4E 0.84 2.30 2.93(2) 132 2_756
O3M H3M O6B 0.84 2.40 3.06(2) 136 2_756
O3M H3M O6E 0.84 2.44 2.99(2) 124 2_756
O4M H4M O5A 0.84 2.01 2.842(13) 168 .
O4M H4M O5Q 0.84 2.17 3.01(2) 172 .
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
O3A Gd1A Gd2A O2A 128.5(3) . .
O3A Gd1A Gd2A O2A -132.3(3) 2_657 .
O1WA Gd1A Gd2A O2A -73.6(2) . .
O4A Gd1A Gd2A O2A 91.2(3) . .
O1A Gd1A Gd2A O2A 178.2(2) . .
N1A Gd1A Gd2A O2A -133.8(17) . .
N2A Gd1A Gd2A O2A 7.3(3) . .
Gd1A Gd1A Gd2A O2A 178.2(2) 2_657 .
O3A Gd1A Gd2A O2A -50.9(2) . 2_657
O3A Gd1A Gd2A O2A 48.2(2) 2_657 2_657
O1WA Gd1A Gd2A O2A 106.9(2) . 2_657
O4A Gd1A Gd2A O2A -88.3(2) . 2_657
O1A Gd1A Gd2A O2A -1.22(14) . 2_657
O2A Gd1A Gd2A O2A -179.45(6) . 2_657
N1A Gd1A Gd2A O2A 46.7(17) . 2_657
N2A Gd1A Gd2A O2A -172.2(2) . 2_657
Gd1A Gd1A Gd2A O2A -1.22(14) 2_657 2_657
O3A Gd1A Gd2A O3A -99.2(3) . 2_657
O1WA Gd1A Gd2A O3A 58.7(2) . 2_657
O4A Gd1A Gd2A O3A -136.5(2) . 2_657
O1A Gd1A Gd2A O3A -49.46(18) . 2_657
O2A Gd1A Gd2A O3A 132.3(3) . 2_657
N1A Gd1A Gd2A O3A -1.5(17) . 2_657
N2A Gd1A Gd2A O3A 139.6(2) . 2_657
Gd1A Gd1A Gd2A O3A -49.46(18) 2_657 2_657
O3A Gd1A Gd2A O3A 99.2(3) 2_657 .
O1WA Gd1A Gd2A O3A 157.9(2) . .
O4A Gd1A Gd2A O3A -37.3(2) . .
O1A Gd1A Gd2A O3A 49.71(18) . .
O2A Gd1A Gd2A O3A -128.5(3) . .
N1A Gd1A Gd2A O3A 97.7(17) . .
N2A Gd1A Gd2A O3A -121.2(2) . .
Gd1A Gd1A Gd2A O3A 49.71(18) 2_657 .
O3A Gd1A Gd2A O1MA 54.5(2) . 2_657
O3A Gd1A Gd2A O1MA 153.7(2) 2_657 2_657
O1WA Gd1A Gd2A O1MA -147.6(2) . 2_657
O4A Gd1A Gd2A O1MA 17.2(2) . 2_657
O1A Gd1A Gd2A O1MA 104.22(15) . 2_657
O2A Gd1A Gd2A O1MA -74.0(3) . 2_657
N1A Gd1A Gd2A O1MA 152.2(17) . 2_657
N2A Gd1A Gd2A O1MA -66.7(2) . 2_657
Gd1A Gd1A Gd2A O1MA 104.22(15) 2_657 2_657
O3A Gd1A Gd2A O1MA -140.8(2) . .
O3A Gd1A Gd2A O1MA -41.6(2) 2_657 .
O1WA Gd1A Gd2A O1MA 17.1(2) . .
O4A Gd1A Gd2A O1MA -178.1(2) . .
O1A Gd1A Gd2A O1MA -91.07(15) . .
O2A Gd1A Gd2A O1MA 90.7(3) . .
N1A Gd1A Gd2A O1MA -43.1(17) . .
N2A Gd1A Gd2A O1MA 98.0(2) . .
Gd1A Gd1A Gd2A O1MA -91.07(15) 2_657 .
O3A Gd1A Gd2A N3A 6.0(15) . 2_657
O3A Gd1A Gd2A N3A 105.2(15) 2_657 2_657
O1WA Gd1A Gd2A N3A 163.9(15) . 2_657
O4A Gd1A Gd2A N3A -31.3(15) . 2_657
O1A Gd1A Gd2A N3A 55.7(15) . 2_657
O2A Gd1A Gd2A N3A -122.5(15) . 2_657
N1A Gd1A Gd2A N3A 104(2) . 2_657
N2A Gd1A Gd2A N3A -115.2(15) . 2_657
Gd1A Gd1A Gd2A N3A 55.7(15) 2_657 2_657
O3A Gd1A Gd2A N3A 135.9(3) . .
O3A Gd1A Gd2A N3A -124.9(3) 2_657 .
O1WA Gd1A Gd2A N3A -66.2(2) . .
O4A Gd1A Gd2A N3A 98.6(2) . .
O1A Gd1A Gd2A N3A -174.39(18) . .
O2A Gd1A Gd2A N3A 7.4(3) . .
N1A Gd1A Gd2A N3A -126.4(17) . .
N2A Gd1A Gd2A N3A 14.7(2) . .
Gd1A Gd1A Gd2A N3A -174.39(18) 2_657 .
O3A Gd1A Gd2A Gd1A -49.71(18) . 2_657
O3A Gd1A Gd2A Gd1A 49.46(18) 2_657 2_657
O1WA Gd1A Gd2A Gd1A 108.16(15) . 2_657
O4A Gd1A Gd2A Gd1A -87.04(16) . 2_657
O1A Gd1A Gd2A Gd1A 0.0 . 2_657
O2A Gd1A Gd2A Gd1A -178.2(2) . 2_657
N1A Gd1A Gd2A Gd1A 48.0(17) . 2_657
N2A Gd1A Gd2A Gd1A -170.94(16) . 2_657
O3A Gd1A O1A C1A -148.27(13) . .
O3A Gd1A O1A C1A 148.36(13) 2_657 .
O1WA Gd1A O1A C1A 77.68(16) . .
O4A Gd1A O1A C1A -68.88(13) . .
O2A Gd1A O1A C1A -177.9(2) . .
N1A Gd1A O1A C1A 4.09(16) . .
N2A Gd1A O1A C1A -12.2(2) . .
Gd1A Gd1A O1A C1A 180.000(2) 2_657 .
Gd2A Gd1A O1A C1A 180.000(2) . .
O3A Gd1A O1A Gd1A 31.73(13) . 2_657
O3A Gd1A O1A Gd1A -31.64(13) 2_657 2_657
O1WA Gd1A O1A Gd1A -102.32(16) . 2_657
O4A Gd1A O1A Gd1A 111.12(13) . 2_657
O2A Gd1A O1A Gd1A 2.1(2) . 2_657
N1A Gd1A O1A Gd1A -175.91(16) . 2_657
N2A Gd1A O1A Gd1A 167.8(2) . 2_657
Gd2A Gd1A O1A Gd1A 0.0 . 2_657
O2A Gd2A O2A C22A 178.3(6) 2_657 .
O3A Gd2A O2A C22A 146.9(6) 2_657 .
O3A Gd2A O2A C22A -150.1(6) . .
O1MA Gd2A O2A C22A -74.5(6) 2_657 .
O1MA Gd2A O2A C22A 76.2(6) . .
N3A Gd2A O2A C22A -10.7(8) 2_657 .
N3A Gd2A O2A C22A 4.1(6) . .
Gd1A Gd2A O2A C22A 177.3(7) . .
Gd1A Gd2A O2A C22A 178.9(6) 2_657 .
O2A Gd2A O2A Gd1A 0.93(11) 2_657 .
O3A Gd2A O2A Gd1A -30.41(17) 2_657 .
O3A Gd2A O2A Gd1A 32.52(17) . .
O1MA Gd2A O2A Gd1A 108.2(2) 2_657 .
O1MA Gd2A O2A Gd1A -101.1(2) . .
N3A Gd2A O2A Gd1A 171.9(3) 2_657 .
N3A Gd2A O2A Gd1A -173.2(2) . .
Gd1A Gd2A O2A Gd1A 1.56(18) 2_657 .
O3A Gd1A O2A C22A 149.7(6) . .
O3A Gd1A O2A C22A -146.7(6) 2_657 .
O1WA Gd1A O2A C22A -69.8(6) . .
O4A Gd1A O2A C22A 78.2(6) . .
O1A Gd1A O2A C22A 179.6(5) . .
N1A Gd1A O2A C22A -3.5(8) . .
N2A Gd1A O2A C22A 9.3(6) . .
Gd1A Gd1A O2A C22A -178.9(6) 2_657 .
Gd2A Gd1A O2A C22A -177.4(7) . .
O3A Gd1A O2A Gd2A -32.90(17) . .
O3A Gd1A O2A Gd2A 30.68(17) 2_657 .
O1WA Gd1A O2A Gd2A 107.6(2) . .
O4A Gd1A O2A Gd2A -104.4(2) . .
O1A Gd1A O2A Gd2A -3.0(3) . .
N1A Gd1A O2A Gd2A 173.9(2) . .
N2A Gd1A O2A Gd2A -173.3(2) . .
Gd1A Gd1A O2A Gd2A -1.58(18) 2_657 .
O3A Gd1A O3A Gd1A 48.7(2) 2_657 2_657
O1WA Gd1A O3A Gd1A 65.2(3) . 2_657
O4A Gd1A O3A Gd1A -117.5(2) . 2_657
O1A Gd1A O3A Gd1A -32.32(14) . 2_657
O2A Gd1A O3A Gd1A 130.5(2) . 2_657
N1A Gd1A O3A Gd1A -74.6(3) . 2_657
N2A Gd1A O3A Gd1A -175.1(2) . 2_657
Gd2A Gd1A O3A Gd1A 97.5(2) . 2_657
O3A Gd1A O3A Gd2A -48.85(15) 2_657 .
O1WA Gd1A O3A Gd2A -32.3(3) . .
O4A Gd1A O3A Gd2A 145.0(2) . .
O1A Gd1A O3A Gd2A -129.83(17) . .
O2A Gd1A O3A Gd2A 32.97(17) . .
N1A Gd1A O3A Gd2A -172.1(2) . .
N2A Gd1A O3A Gd2A 87.4(3) . .
Gd1A Gd1A O3A Gd2A -97.5(2) 2_657 .
O2A Gd2A O3A Gd1A -33.28(17) . .
O2A Gd2A O3A Gd1A 128.2(2) 2_657 .
O3A Gd2A O3A Gd1A 48.74(16) 2_657 .
O1MA Gd2A O3A Gd1A -123.8(2) 2_657 .
O1MA Gd2A O3A Gd1A 58.9(3) . .
N3A Gd2A O3A Gd1A -179.1(2) 2_657 .
N3A Gd2A O3A Gd1A -73.7(3) . .
Gd1A Gd2A O3A Gd1A 97.2(2) 2_657 .
O2A Gd2A O3A Gd1A -130.5(2) . 2_657
O2A Gd2A O3A Gd1A 30.98(18) 2_657 2_657
O3A Gd2A O3A Gd1A -48.49(15) 2_657 2_657
O1MA Gd2A O3A Gd1A 138.9(2) 2_657 2_657
O1MA Gd2A O3A Gd1A -38.3(3) . 2_657
N3A Gd2A O3A Gd1A 83.6(3) 2_657 2_657
N3A Gd2A O3A Gd1A -170.9(2) . 2_657
Gd1A Gd2A O3A Gd1A -97.2(2) . 2_657
O3A Gd1A N1A C10A -136.8(5) . .
O3A Gd1A N1A C10A 130.1(5) 2_657 .
O1WA Gd1A N1A C10A 70.5(5) . .
O4A Gd1A N1A C10A -92.1(5) . .
O1A Gd1A N1A C10A -179.5(5) . .
O2A Gd1A N1A C10A 2.4(7) . .
N2A Gd1A N1A C10A -11.1(5) . .
Gd1A Gd1A N1A C10A 177.4(5) 2_657 .
Gd2A Gd1A N1A C10A 131.5(15) . .
O3A Gd1A N1A C9A 91.9(5) . .
O3A Gd1A N1A C9A -1.2(6) 2_657 .
O1WA Gd1A N1A C9A -60.8(5) . .
O4A Gd1A N1A C9A 136.5(5) . .
O1A Gd1A N1A C9A 49.1(4) . .
O2A Gd1A N1A C9A -129.0(4) . .
N2A Gd1A N1A C9A -142.5(5) . .
Gd1A Gd1A N1A C9A 46.0(5) 2_657 .
Gd2A Gd1A N1A C9A 0(2) . .
O3A Gd1A N2A C15A 115.4(5) . .
O3A Gd1A N2A C15A -150.4(5) 2_657 .
O1WA Gd1A N2A C15A -102.9(5) . .
O4A Gd1A N2A C15A 56.6(5) . .
O1A Gd1A N2A C15A -2.5(6) . .
O2A Gd1A N2A C15A 169.1(5) . .
N1A Gd1A N2A C15A -19.5(5) . .
Gd1A Gd1A N2A C15A 92.0(13) 2_657 .
Gd2A Gd1A N2A C15A 164.1(5) . .
O3A Gd1A N2A C16A -10.9(6) . .
O3A Gd1A N2A C16A 83.2(5) 2_657 .
O1WA Gd1A N2A C16A 130.8(5) . .
O4A Gd1A N2A C16A -69.7(5) . .
O1A Gd1A N2A C16A -128.8(4) . .
O2A Gd1A N2A C16A 42.8(5) . .
N1A Gd1A N2A C16A -145.8(5) . .
Gd1A Gd1A N2A C16A -34.3(15) 2_657 .
Gd2A Gd1A N2A C16A 37.8(5) . .
O2A Gd2A N3A C28A 172.7(6) . .
O2A Gd2A N3A C28A -1.8(7) 2_657 .
O3A Gd2A N3A C28A 120.0(6) 2_657 .
O3A Gd2A N3A C28A -147.1(5) . .
O1MA Gd2A N3A C28A -97.8(6) 2_657 .
O1MA Gd2A N3A C28A 65.1(6) . .
N3A Gd2A N3A C28A -17.5(5) 2_657 .
Gd1A Gd2A N3A C28A 167.6(5) . .
Gd1A Gd2A N3A C28A 114.6(15) 2_657 .
O2A Gd2A N3A C27A 45.5(5) . .
O2A Gd2A N3A C27A -129.0(5) 2_657 .
O3A Gd2A N3A C27A -7.2(6) 2_657 .
O3A Gd2A N3A C27A 85.7(6) . .
O1MA Gd2A N3A C27A 135.0(5) 2_657 .
O1MA Gd2A N3A C27A -62.1(5) . .
N3A Gd2A N3A C27A -144.7(7) 2_657 .
Gd1A Gd2A N3A C27A 40.4(5) . .
Gd1A Gd2A N3A C27A -12.6(19) 2_657 .
Gd1A O1A C1A C2A -32.3(4) 2_657 2_657
Gd1A O1A C1A C2A 147.7(4) . 2_657
Gd1A O1A C1A C2A 147.7(4) 2_657 .
Gd1A O1A C1A C2A -32.3(4) . .
O1A C1A C2A C3A 179.8(6) . .
C2A C1A C2A C3A -0.2(6) 2_657 .
O1A C1A C2A C9A 3.7(9) . .
C2A C1A C2A C9A -176.3(9) 2_657 .
C1A C2A C3A C4A 0.4(13) . .
C9A C2A C3A C4A 176.4(7) . .
C2A C3A C4A C3A -0.2(7) . 2_657
C2A C3A C4A C5A 179.8(7) . .
C3A C4A C5A C6A -60.2(9) . .
C3A C4A C5A C6A 119.8(9) 2_657 .
C3A C4A C5A C6A 119.8(9) . 2_657
C3A C4A C5A C6A -60.2(9) 2_657 2_657
C3A C4A C5A C8A -7.1(9) . 2_657
C3A C4A C5A C8A 172.9(9) 2_657 2_657
C3A C4A C5A C8A 172.9(9) . .
C3A C4A C5A C8A -7.1(9) 2_657 .
C3A C4A C5A C7A 57.0(9) . .
C3A C4A C5A C7A -123.0(9) 2_657 .
C3A C4A C5A C7A -123.0(9) . 2_657
C3A C4A C5A C7A 57.0(9) 2_657 2_657
C10A N1A C9A C2A 137.4(7) . .
Gd1A N1A C9A C2A -89.2(6) . .
C3A C2A C9A N1A -115.3(9) . .
C1A C2A C9A N1A 60.7(9) . .
C9A N1A C10A C15A 167.1(7) . .
Gd1A N1A C10A C15A 39.0(8) . .
C9A N1A C10A C11A -69.8(9) . .
Gd1A N1A C10A C11A 162.1(6) . .
N1A C10A C11A C12A -177.8(7) . .
C15A C10A C11A C12A -56.6(10) . .
C10A C11A C12A C13A 56.1(11) . .
C11A C12A C13A C14A -55.7(12) . .
C12A C13A C14A C15A 56.4(11) . .
C16A N2A C15A C10A 168.1(6) . .
Gd1A N2A C15A C10A 47.0(8) . .
C16A N2A C15A C14A -68.0(9) . .
Gd1A N2A C15A C14A 170.9(5) . .
N1A C10A C15A N2A -54.7(9) . .
C11A C10A C15A N2A -178.8(7) . .
N1A C10A C15A C14A 179.5(7) . .
C11A C10A C15A C14A 55.5(10) . .
C13A C14A C15A N2A -178.3(8) . .
C13A C14A C15A C10A -55.5(11) . .
C15A N2A C16A C17A 148.4(7) . .
Gd1A N2A C16A C17A -85.7(6) . .
N2A C16A C17A C18A -109.7(8) . .
N2A C16A C17A C22A 66.8(10) . .
C22A C17A C18A C19A 2.1(14) . .
C16A C17A C18A C19A 178.6(8) . .
C17A C18A C19A C20A 0.7(14) . .
C17A C18A C19A C23A -174.7(8) . .
C18A C19A C20A C21A -2.0(13) . .
C23A C19A C20A C21A 173.5(8) . .
C19A C20A C21A C22A 0.5(13) . .
C19A C20A C21A C27A -179.4(8) . .
Gd2A O2A C22A C21A -29.3(10) . .
Gd1A O2A C22A C21A 147.1(6) . .
Gd2A O2A C22A C17A 149.8(6) . .
Gd1A O2A C22A C17A -33.7(10) . .
C20A C21A C22A O2A -178.6(8) . .
C27A C21A C22A O2A 1.3(12) . .
C20A C21A C22A C17A 2.2(12) . .
C27A C21A C22A C17A -177.8(8) . .
C18A C17A C22A O2A 177.3(7) . .
C16A C17A C22A O2A 0.9(12) . .
C18A C17A C22A C21A -3.5(12) . .
C16A C17A C22A C21A -180.0(7) . .
C18A C19A C23A C25A -63.1(11) . .
C20A C19A C23A C25A 121.6(9) . .
C18A C19A C23A C24Q 130.9(13) . .
C20A C19A C23A C24Q -44.3(15) . .
C18A C19A C23A C26Q 5.0(15) . .
C20A C19A C23A C26Q -170.2(13) . .
C18A C19A C23A C24A 176.1(9) . .
C20A C19A C23A C24A 0.9(11) . .
C18A C19A C23A C25Q -110.0(13) . .
C20A C19A C23A C25Q 74.7(13) . .
C18A C19A C23A C26A 55.8(11) . .
C20A C19A C23A C26A -119.4(9) . .
C28A N3A C27A C21A 148.9(7) . .
Gd2A N3A C27A C21A -84.2(7) . .
C22A C21A C27A N3A 62.0(10) . .
C20A C21A C27A N3A -118.1(9) . .
C27A N3A C28A C29A -66.1(10) . .
Gd2A N3A C28A C29A 170.6(7) . .
C27A N3A C28A C28A 171.7(8) . 2_657
Gd2A N3A C28A C28A 48.4(9) . 2_657
N3A C28A C29A C30A -172.2(10) . .
C28A C28A C29A C30A -52.6(14) 2_657 .
C28A C29A C30A C30A 55.3(18) . 2_657
O6Q N4A O4A Gd1A 17(2) . .
O5Q N4A O4A Gd1A -164.1(13) . .
O5A N4A O4A Gd1A 156.6(12) . .
O6A N4A O4A Gd1A -17.4(18) . .
O3A Gd1A O4A N4A -16.0(10) . .
O3A Gd1A O4A N4A -33.8(11) 2_657 .
O1WA Gd1A O4A N4A 160.5(9) . .
O1A Gd1A O4A N4A -92.6(10) . .
O2A Gd1A O4A N4A 52.8(10) . .
N1A Gd1A O4A N4A -167.6(10) . .
N2A Gd1A O4A N4A 122.4(10) . .
Gd1A Gd1A O4A N4A -52.8(10) 2_657 .
Gd2A Gd1A O4A N4A 8.5(10) . .
O2A Gd2A O1MA C1MA 150.5(8) . .
O2A Gd2A O1MA C1MA 5.6(8) 2_657 .
O3A Gd2A O1MA C1MA 79.7(8) 2_657 .
O3A Gd2A O1MA C1MA 70.6(8) . .
O1MA Gd2A O1MA C1MA -104.1(8) 2_657 .
N3A Gd2A O1MA C1MA -69.8(8) 2_657 .
N3A Gd2A O1MA C1MA -138.7(8) . .
Gd1A Gd2A O1MA C1MA 106.8(8) . .
Gd1A Gd2A O1MA C1MA 46.0(8) 2_657 .
O4E Gd1B Gd2B O3B 149.7(4) . 2_756
O2B Gd1B Gd2B O3B -130.7(3) . 2_756
O3B Gd1B Gd2B O3B 99.1(3) . 2_756
O4B Gd1B Gd2B O3B 151.5(3) . 2_756
O1B Gd1B Gd2B O3B 50.0(2) . 2_756
O1WB Gd1B Gd2B O3B -36.5(3) . 2_756
N2B Gd1B Gd2B O3B -125.4(3) . 2_756
N1B Gd1B Gd2B O3B 117.3(13) . 2_756
Gd1B Gd1B Gd2B O3B 50.0(2) 2_756 2_756
O4E Gd1B Gd2B O3B 50.7(4) . .
O3B Gd1B Gd2B O3B -99.1(3) 2_756 .
O2B Gd1B Gd2B O3B 130.2(3) . .
O4B Gd1B Gd2B O3B 52.4(3) . .
O1B Gd1B Gd2B O3B -49.07(18) . .
O1WB Gd1B Gd2B O3B -135.6(2) . .
N2B Gd1B Gd2B O3B 135.5(2) . .
N1B Gd1B Gd2B O3B 18.3(13) . .
Gd1B Gd1B Gd2B O3B -49.07(18) 2_756 .
O4E Gd1B Gd2B O7B 13.1(4) . .
O3B Gd1B Gd2B O7B -136.6(3) 2_756 .
O2B Gd1B Gd2B O7B 92.7(3) . .
O3B Gd1B Gd2B O7B -37.5(3) . .
O4B Gd1B Gd2B O7B 14.9(3) . .
O1B Gd1B Gd2B O7B -86.6(2) . .
O1WB Gd1B Gd2B O7B -173.2(3) . .
N2B Gd1B Gd2B O7B 98.0(3) . .
N1B Gd1B Gd2B O7B -19.3(13) . .
Gd1B Gd1B Gd2B O7B -86.6(2) 2_756 .
O4E Gd1B Gd2B O7B -147.0(4) . 2_756
O3B Gd1B Gd2B O7B 63.3(3) 2_756 2_756
O2B Gd1B Gd2B O7B -67.4(3) . 2_756
O3B Gd1B Gd2B O7B 162.4(3) . 2_756
O4B Gd1B Gd2B O7B -145.2(3) . 2_756
O1B Gd1B Gd2B O7B 113.28(18) . 2_756
O1WB Gd1B Gd2B O7B 26.7(2) . 2_756
N2B Gd1B Gd2B O7B -62.1(2) . 2_756
N1B Gd1B Gd2B O7B -179(32) . 2_756
Gd1B Gd1B Gd2B O7B 113.28(18) 2_756 2_756
O4E Gd1B Gd2B O2B 100.2(4) . 2_756
O3B Gd1B Gd2B O2B -49.5(2) 2_756 2_756
O2B Gd1B Gd2B O2B 179.77(7) . 2_756
O3B Gd1B Gd2B O2B 49.6(2) . 2_756
O4B Gd1B Gd2B O2B 102.0(3) . 2_756
O1B Gd1B Gd2B O2B 0.48(14) . 2_756
O1WB Gd1B Gd2B O2B -86.1(2) . 2_756
N2B Gd1B Gd2B O2B -174.9(2) . 2_756
N1B Gd1B Gd2B O2B 67.8(13) . 2_756
Gd1B Gd1B Gd2B O2B 0.48(14) 2_756 2_756
O4E Gd1B Gd2B O2B -79.6(4) . .
O3B Gd1B Gd2B O2B 130.7(3) 2_756 .
O3B Gd1B Gd2B O2B -130.2(3) . .
O4B Gd1B Gd2B O2B -77.8(3) . .
O1B Gd1B Gd2B O2B -179.3(2) . .
O1WB Gd1B Gd2B O2B 94.2(3) . .
N2B Gd1B Gd2B O2B 5.3(3) . .
N1B Gd1B Gd2B O2B -111.9(13) . .
Gd1B Gd1B Gd2B O2B -179.3(2) 2_756 .
O4E Gd1B Gd2B N3B -74.2(4) . .
O3B Gd1B Gd2B N3B 136.1(3) 2_756 .
O2B Gd1B Gd2B N3B 5.4(3) . .
O3B Gd1B Gd2B N3B -124.8(3) . .
O4B Gd1B Gd2B N3B -72.4(3) . .
O1B Gd1B Gd2B N3B -173.91(19) . .
O1WB Gd1B Gd2B N3B 99.5(3) . .
N2B Gd1B Gd2B N3B 10.7(2) . .
N1B Gd1B Gd2B N3B -106.6(13) . .
Gd1B Gd1B Gd2B N3B -173.91(19) 2_756 .
O4E Gd1B Gd2B N3B 160.4(19) . 2_756
O3B Gd1B Gd2B N3B 10.6(19) 2_756 2_756
O2B Gd1B Gd2B N3B -120.1(19) . 2_756
O3B Gd1B Gd2B N3B 109.7(19) . 2_756
O4B Gd1B Gd2B N3B 162.1(19) . 2_756
O1B Gd1B Gd2B N3B 60.6(19) . 2_756
O1WB Gd1B Gd2B N3B -25.9(19) . 2_756
N2B Gd1B Gd2B N3B -114.8(19) . 2_756
N1B Gd1B Gd2B N3B 128(2) . 2_756
Gd1B Gd1B Gd2B N3B 60.6(19) 2_756 2_756
O4E Gd1B Gd2B Gd1B 99.7(4) . 2_756
O3B Gd1B Gd2B Gd1B -50.0(2) 2_756 2_756
O2B Gd1B Gd2B Gd1B 179.3(2) . 2_756
O3B Gd1B Gd2B Gd1B 49.07(18) . 2_756
O4B Gd1B Gd2B Gd1B 101.5(2) . 2_756
O1B Gd1B Gd2B Gd1B 0.0 . 2_756
O1WB Gd1B Gd2B Gd1B -86.54(17) . 2_756
N2B Gd1B Gd2B Gd1B -175.42(17) . 2_756
N1B Gd1B Gd2B Gd1B 67.3(13) . 2_756
O4E Gd1B O1B C1B 74.7(6) . .
O3B Gd1B O1B C1B -148.45(13) 2_756 .
O2B Gd1B O1B C1B 179.2(2) . .
O3B Gd1B O1B C1B 148.79(12) . .
O4B Gd1B O1B C1B 83.8(4) . .
O1WB Gd1B O1B C1B -71.65(15) . .
N2B Gd1B O1B C1B -6.5(2) . .
N1B Gd1B O1B C1B 7.14(18) . .
Gd1B Gd1B O1B C1B 180.000(3) 2_756 .
Gd2B Gd1B O1B C1B 180.000(3) . .
O4E Gd1B O1B Gd1B -105.3(6) . 2_756
O3B Gd1B O1B Gd1B 31.55(13) 2_756 2_756
O2B Gd1B O1B Gd1B -0.8(2) . 2_756
O3B Gd1B O1B Gd1B -31.21(12) . 2_756
O4B Gd1B O1B Gd1B -96.2(4) . 2_756
O1WB Gd1B O1B Gd1B 108.35(15) . 2_756
N2B Gd1B O1B Gd1B 173.5(2) . 2_756
N1B Gd1B O1B Gd1B -172.86(18) . 2_756
Gd2B Gd1B O1B Gd1B 0.0 . 2_756
O4E Gd1B O2B C22B -76.0(8) . .
O3B Gd1B O2B C22B 146.1(7) 2_756 .
O3B Gd1B O2B C22B -151.1(7) . .
O4B Gd1B O2B C22B -81.2(7) . .
O1B Gd1B O2B C22B 178.5(5) . .
O1WB Gd1B O2B C22B 76.8(7) . .
N2B Gd1B O2B C22B 2.2(6) . .
N1B Gd1B O2B C22B -13.4(8) . .
Gd1B Gd1B O2B C22B 177.9(6) 2_756 .
Gd2B Gd1B O2B C22B 177.3(7) . .
O4E Gd1B O2B Gd2B 106.7(5) . .
O3B Gd1B O2B Gd2B -31.26(18) 2_756 .
O3B Gd1B O2B Gd2B 31.59(17) . .
O4B Gd1B O2B Gd2B 101.5(3) . .
O1B Gd1B O2B Gd2B 1.2(4) . .
O1WB Gd1B O2B Gd2B -100.5(2) . .
N2B Gd1B O2B Gd2B -175.1(2) . .
N1B Gd1B O2B Gd2B 169.3(3) . .
Gd1B Gd1B O2B Gd2B 0.63(18) 2_756 .
O3B Gd2B O2B C22B -146.2(6) 2_756 .
O3B Gd2B O2B C22B 150.6(6) . .
O7B Gd2B O2B C22B 77.2(6) . .
O7B Gd2B O2B C22B -64.2(6) 2_756 .
O2B Gd2B O2B C22B -177.8(6) 2_756 .
N3B Gd2B O2B C22B 7.5(6) . .
N3B Gd2B O2B C22B -6.0(8) 2_756 .
Gd1B Gd2B O2B C22B -178.1(6) 2_756 .
Gd1B Gd2B O2B C22B -177.5(7) . .
O3B Gd2B O2B Gd1B 31.25(18) 2_756 .
O3B Gd2B O2B Gd1B -31.93(18) . .
O7B Gd2B O2B Gd1B -105.4(2) . .
O7B Gd2B O2B Gd1B 113.3(2) 2_756 .
O2B Gd2B O2B Gd1B -0.37(11) 2_756 .
N3B Gd2B O2B Gd1B -175.0(3) . .
N3B Gd2B O2B Gd1B 171.4(3) 2_756 .
Gd1B Gd2B O2B Gd1B -0.63(18) 2_756 .
O3B Gd2B O3B Gd1B 49.17(16) 2_756 2_756
O7B Gd2B O3B Gd1B -116.7(2) . 2_756
O7B Gd2B O3B Gd1B 70.6(4) 2_756 2_756
O2B Gd2B O3B Gd1B -31.76(19) 2_756 2_756
O2B Gd2B O3B Gd1B 129.4(2) . 2_756
N3B Gd2B O3B Gd1B -178.4(3) . 2_756
N3B Gd2B O3B Gd1B -73.4(4) 2_756 2_756
Gd1B Gd2B O3B Gd1B 97.4(2) . 2_756
O3B Gd2B O3B Gd1B -48.27(17) 2_756 .
O7B Gd2B O3B Gd1B 145.9(2) . .
O7B Gd2B O3B Gd1B -26.9(4) 2_756 .
O2B Gd2B O3B Gd1B -129.2(2) 2_756 .
O2B Gd2B O3B Gd1B 31.94(18) . .
N3B Gd2B O3B Gd1B 84.1(3) . .
N3B Gd2B O3B Gd1B -170.9(3) 2_756 .
Gd1B Gd2B O3B Gd1B -97.4(2) 2_756 .
O4E Gd1B O3B Gd1B 132.4(5) . 2_756
O3B Gd1B O3B Gd1B -49.7(2) 2_756 2_756
O2B Gd1B O3B Gd1B -130.7(2) . 2_756
O4B Gd1B O3B Gd1B 139.5(4) . 2_756
O1B Gd1B O3B Gd1B 31.89(14) . 2_756
O1WB Gd1B O3B Gd1B -31.7(3) . 2_756
N2B Gd1B O3B Gd1B -172.0(2) . 2_756
N1B Gd1B O3B Gd1B 84.8(3) . 2_756
Gd2B Gd1B O3B Gd1B -98.31(19) . 2_756
O4E Gd1B O3B Gd2B -129.3(5) . .
O3B Gd1B O3B Gd2B 48.62(15) 2_756 .
O2B Gd1B O3B Gd2B -32.43(18) . .
O4B Gd1B O3B Gd2B -122.2(4) . .
O1B Gd1B O3B Gd2B 130.20(17) . .
O1WB Gd1B O3B Gd2B 66.7(3) . .
N2B Gd1B O3B Gd2B -73.7(3) . .
N1B Gd1B O3B Gd2B -176.9(2) . .
Gd1B Gd1B O3B Gd2B 98.31(19) 2_756 .
O4E Gd1B N1B C10B 69.2(7) . .
O3B Gd1B N1B C10B -148.1(5) 2_756 .
O2B Gd1B N1B C10B -1.1(8) . .
O3B Gd1B N1B C10B 118.8(5) . .
O4B Gd1B N1B C10B 68.1(6) . .
O1B Gd1B N1B C10B 171.8(6) . .
O1WB Gd1B N1B C10B -102.4(6) . .
N2B Gd1B N1B C10B -17.5(5) . .
Gd1B Gd1B N1B C10B 166.4(5) 2_756 .
Gd2B Gd1B N1B C10B 102.8(13) . .
O4E Gd1B N1B C9B -58.1(7) . .
O3B Gd1B N1B C9B 84.6(7) 2_756 .
O2B Gd1B N1B C9B -128.4(6) . .
O3B Gd1B N1B C9B -8.5(7) . .
O4B Gd1B N1B C9B -59.2(6) . .
O1B Gd1B N1B C9B 44.5(5) . .
O1WB Gd1B N1B C9B 130.3(6) . .
N2B Gd1B N1B C9B -144.8(6) . .
Gd1B Gd1B N1B C9B 39.1(6) 2_756 .
Gd2B Gd1B N1B C9B -24.5(16) . .
O4E Gd1B N2B C15B -86.6(7) . .
O3B Gd1B N2B C15B 126.4(5) 2_756 .
O2B Gd1B N2B C15B 177.2(6) . .
O3B Gd1B N2B C15B -141.3(5) . .
O4B Gd1B N2B C15B -96.3(6) . .
O1B Gd1B N2B C15B 0.6(6) . .
O1WB Gd1B N2B C15B 66.4(5) . .
N1B Gd1B N2B C15B -13.7(5) . .
Gd1B Gd1B N2B C15B 124.8(18) 2_756 .
Gd2B Gd1B N2B C15B 173.5(4) . .
O4E Gd1B N2B C16B 144.7(7) . .
O3B Gd1B N2B C16B -2.3(6) 2_756 .
O2B Gd1B N2B C16B 48.5(5) . .
O3B Gd1B N2B C16B 90.0(5) . .
O4B Gd1B N2B C16B 135.0(6) . .
O1B Gd1B N2B C16B -128.1(4) . .
O1WB Gd1B N2B C16B -62.3(5) . .
N1B Gd1B N2B C16B -142.4(6) . .
Gd1B Gd1B N2B C16B -4(2) 2_756 .
Gd2B Gd1B N2B C16B 44.8(5) . .
O3B Gd2B N3B C27B 86.0(6) 2_756 .
O3B Gd2B N3B C27B -7.4(7) . .
O7B Gd2B N3B C27B -70.5(6) . .
O7B Gd2B N3B C27B 131.7(6) 2_756 .
O2B Gd2B N3B C27B -130.4(6) 2_756 .
O2B Gd2B N3B C27B 44.6(6) . .
N3B Gd2B N3B C27B -144.7(7) 2_756 .
Gd1B Gd2B N3B C27B -17(2) 2_756 .
Gd1B Gd2B N3B C27B 40.8(6) . .
O3B Gd2B N3B C28B -144.7(5) 2_756 .
O3B Gd2B N3B C28B 122.0(6) . .
O7B Gd2B N3B C28B 58.9(6) . .
O7B Gd2B N3B C28B -98.9(6) 2_756 .
O2B Gd2B N3B C28B -1.0(8) 2_756 .
O2B Gd2B N3B C28B 173.9(6) . .
N3B Gd2B N3B C28B -15.3(5) 2_756 .
Gd1B Gd2B N3B C28B 112.5(18) 2_756 .
Gd1B Gd2B N3B C28B 170.2(5) . .
Gd1B O1B C1B C2B -33.2(5) 2_756 2_756
Gd1B O1B C1B C2B 146.8(5) . 2_756
Gd1B O1B C1B C2B 146.8(5) 2_756 .
Gd1B O1B C1B C2B -33.2(5) . .
O1B C1B C2B C3B 179.8(8) . .
C2B C1B C2B C3B -0.2(8) 2_756 .
O1B C1B C2B C9B 2.4(11) . .
C2B C1B C2B C9B -177.6(11) 2_756 .
C1B C2B C3B C4B 0.4(17) . .
C9B C2B C3B C4B 177.8(9) . .
C2B C3B C4B C3B -0.2(8) . 2_756
C2B C3B C4B C5B 179.8(8) . .
C3B C4B C5B C6B 54.9(11) . 2_756
C3B C4B C5B C6B -125.1(11) 2_756 2_756
C3B C4B C5B C6B -125.1(11) . .
C3B C4B C5B C6B 54.9(11) 2_756 .
C3B C4B C5B C8B -177.9(11) . 2_756
C3B C4B C5B C8B 2.1(11) 2_756 2_756
C3B C4B C5B C8B 2.1(11) . .
C3B C4B C5B C8B -177.9(11) 2_756 .
C3B C4B C5B C7B 119.0(11) . .
C3B C4B C5B C7B -61.0(11) 2_756 .
C3B C4B C5B C7B -61.0(11) . 2_756
C3B C4B C5B C7B 119.0(11) 2_756 2_756
C3B C2B C9B N1B -114.6(11) . .
C1B C2B C9B N1B 62.9(11) . .
C10B N1B C9B C2B 146.4(8) . .
Gd1B N1B C9B C2B -85.7(8) . .
C9B N1B C10B C15B 168.3(7) . .
Gd1B N1B C10B C15B 44.5(8) . .
C9B N1B C10B C11B -69.0(10) . .
Gd1B N1B C10B C11B 167.2(5) . .
N1B C10B C11B C12B -175.7(7) . .
C15B C10B C11B C12B -54.6(10) . .
C10B C11B C12B C13B 54.8(11) . .
C11B C12B C13B C14B -55.1(11) . .
C12B C13B C14B C15B 56.3(10) . .
C16B N2B C15B C14B -70.1(9) . .
Gd1B N2B C15B C14B 165.4(5) . .
C16B N2B C15B C10B 166.1(6) . .
Gd1B N2B C15B C10B 41.6(7) . .
C13B C14B C15B N2B -179.3(7) . .
C13B C14B C15B C10B -56.7(9) . .
N1B C10B C15B N2B -55.3(9) . .
C11B C10B C15B N2B -179.4(7) . .
N1B C10B C15B C14B 179.4(7) . .
C11B C10B C15B C14B 55.3(9) . .
C15B N2B C16B C17B 141.7(7) . .
Gd1B N2B C16B C17B -88.4(7) . .
N2B C16B C17B C18B -116.1(8) . .
N2B C16B C17B C22B 60.7(9) . .
C22B C17B C18B C19B 0.6(14) . .
C16B C17B C18B C19B 177.5(9) . .
C17B C18B C19B C20B -0.5(16) . .
C17B C18B C19B C23B 178.2(10) . .
C18B C19B C20B C21B -0.7(17) . .
C23B C19B C20B C21B -179.5(11) . .
C19B C20B C21B C22B 2.0(17) . .
C19B C20B C21B C27B 176.7(10) . .
Gd1B O2B C22B C17B -29.8(10) . .
Gd2B O2B C22B C17B 146.7(6) . .
Gd1B O2B C22B C21B 150.1(7) . .
Gd2B O2B C22B C21B -33.5(10) . .
C18B C17B C22B O2B -179.6(7) . .
C16B C17B C22B O2B 3.5(11) . .
C18B C17B C22B C21B 0.5(12) . .
C16B C17B C22B C21B -176.3(7) . .
C20B C21B C22B O2B 178.3(9) . .
C27B C21B C22B O2B 3.6(13) . .
C20B C21B C22B C17B -1.8(14) . .
C27B C21B C22B C17B -176.6(8) . .
C18B C19B C23B C24E 7(2) . .
C20B C19B C23B C24E -174.8(19) . .
C18B C19B C23B C25B 173.3(11) . .
C20B C19B C23B C25B -8.0(16) . .
C18B C19B C23B C26E 134.2(18) . .
C20B C19B C23B C26E -47(2) . .
C18B C19B C23B C24B -66.1(14) . .
C20B C19B C23B C24B 112.6(13) . .
C18B C19B C23B C25E -111.0(19) . .
C20B C19B C23B C25E 67.6(19) . .
C18B C19B C23B C26B 52.1(14) . .
C20B C19B C23B C26B -129.3(13) . .
C28B N3B C27B C21B 144.2(8) . .
Gd2B N3B C27B C21B -86.0(7) . .
C20B C21B C27B N3B -111.9(10) . .
C22B C21B C27B N3B 63.0(11) . .
C27B N3B C28B C28B 168.9(9) . 2_756
Gd2B N3B C28B C28B 43.3(11) . 2_756
C27B N3B C28B C29B -68.6(11) . .
Gd2B N3B C28B C29B 165.7(7) . .
N3B C28B C29B C30B -179.3(10) . .
C28B C28B C29B C30B -57.7(14) 2_756 .
C28B C29B C30B C30B 58.3(19) . 2_756
O6B N4B O4B Gd1B -163.1(14) . .
O5B N4B O4B Gd1B 32(2) . .
O4E Gd1B O4B N4B -94(3) . .
O3B Gd1B O4B N4B 119.9(15) 2_756 .
O2B Gd1B O4B N4B 54.2(16) . .
O3B Gd1B O4B N4B 130.1(17) . .
O1B Gd1B O4B N4B -160.5(16) . .
O1WB Gd1B O4B N4B -65(2) . .
N2B Gd1B O4B N4B -20.3(16) . .
N1B Gd1B O4B N4B -88.3(16) . .
Gd1B Gd1B O4B N4B 156.2(16) 2_756 .
Gd2B Gd1B O4B N4B 96.0(16) . .
O6E N4E O4E Gd1B -165.7(18) . .
O5E N4E O4E Gd1B -2(3) . .
O3B Gd1B O4E N4E 104(2) 2_756 .
O2B Gd1B O4E N4E 33(3) . .
O3B Gd1B O4E N4E 107(3) . .
O4B Gd1B O4E N4E 65(3) . .
O1B Gd1B O4E N4E 180(2) . .
O1WB Gd1B O4E N4E -94(3) . .
N2B Gd1B O4E N4E -40(2) . .
N1B Gd1B O4E N4E -109(3) . .
Gd1B Gd1B O4E N4E 137(2) 2_756 .
Gd2B Gd1B O4E N4E 75(3) . .
O9B N5B O7B Gd2B 161.7(7) . .
O8B N5B O7B Gd2B -20.5(14) . .
O3B Gd2B O7B N5B -49.5(10) 2_756 .
O3B Gd2B O7B N5B -30.7(9) . .
O7B Gd2B O7B N5B 141.8(9) 2_756 .
O2B Gd2B O7B N5B -105.8(9) 2_756 .
O2B Gd2B O7B N5B 38.9(9) . .
N3B Gd2B O7B N5B 107.6(9) . .
N3B Gd2B O7B N5B 177.2(10) 2_756 .
Gd1B Gd2B O7B N5B -67.3(9) 2_756 .
Gd1B Gd2B O7B N5B -6.3(9) . .
