#------------------------------------------------------------------------------
#$Date: 2016-01-21 05:43:38 +0200 (Thu, 21 Jan 2016) $
#$Revision: 174651 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/85/7118553.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_7118553
loop_
_publ_author_name
'Alexandropoulos, Dimitris I.'
'Cunha-Silva, Luís'
'Lorusso, Giulia'
'Evangelisti, Marco'
'Tang, Jinkui'
'Stamatatos, Theocharis C.'
_publ_section_title
;
 Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology:
 single-molecule magnetism and magnetocaloric properties.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1693
_journal_page_last               1696
_journal_paper_doi               10.1039/c5cc09385f
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C144 H112 Co6 Gd6 N18 O44'
_chemical_formula_sum            'C144 H112 Co6 Gd6 N18 O44'
_chemical_formula_weight         4095.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             '23 November 2015'
_audit_creation_method           'SHELXL-2014/7 and enCIFer'
_audit_update_record
;
2015-11-23 deposited with the CCDC.
2015-11-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.972(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.740(2)
_cell_length_b                   22.507(2)
_cell_length_c                   21.262(2)
_cell_measurement_reflns_used    9999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.0
_cell_volume                     9068.9(15)
_computing_cell_refinement       'Crysalis v. 171.36.20 (Agilent, 2012)'
_computing_data_collection       'Pylatus control software (SNBL, 2012)'
_computing_data_reduction        'Crysalis v. 171.36.20 (Agilent, 2012)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2014)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean '172 \mm'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  PILATUS2M
_diffrn_measurement_method       φ-scan
_diffrn_radiation_monochromator  'Si (111)'
_diffrn_radiation_source         'Beamline BM1A, SNBL, ESRF, Grenoble, France'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.68239
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_av_unetI/netI     0.0387
_diffrn_reflns_laue_measured_fraction_full 0.996
_diffrn_reflns_laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            60991
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        23.964
_diffrn_reflns_theta_max         23.964
_diffrn_reflns_theta_min         3.529
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.493
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.942
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
'SADABS V2012/1 (Bruker AXS Inc.)' 
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_description       block
_exptl_crystal_F_000             4000
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.546
_refine_diff_density_min         -1.248
_refine_diff_density_rms         0.192
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.889
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1012
_refine_ls_number_reflns         15952
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      0.891
_refine_ls_R_factor_all          0.0775
_refine_ls_R_factor_gt           0.0748
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1136P)²+169.4855P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1958
_refine_ls_wR_factor_ref         0.1986
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15115
_reflns_number_total             15952
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc09385f2.cif
_cod_data_source_block           DA652sq
_cod_database_code               7118553
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.907
_shelx_estimated_absorpt_t_max   0.952
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Gd1 Gd 0.01927(2) 0.43258(2) 0.35347(2) 0.03643(14) Uani 1 1 d . . .
Gd2 Gd 0.14531(2) 0.55998(2) 0.46962(2) 0.03562(14) Uani 1 1 d . . .
Gd3 Gd 0.16165(2) 0.50720(2) 0.65278(2) 0.03251(13) Uani 1 1 d . . .
Co1 Co -0.13391(7) 0.43605(6) 0.21887(6) 0.0390(3) Uani 1 1 d . . .
Co2 Co 0.15854(7) 0.48988(7) 0.33946(7) 0.0464(3) Uani 1 1 d . . .
Co3 Co 0.28538(7) 0.56419(6) 0.61488(7) 0.0397(3) Uani 1 1 d . . .
O1 O -0.1053(3) 0.4055(3) 0.3269(3) 0.0374(13) Uani 1 1 d . . .
O2 O -0.0734(3) 0.5047(3) 0.2980(3) 0.0361(13) Uani 1 1 d . . .
O3 O 0.0641(3) 0.5322(3) 0.3518(3) 0.0446(15) Uani 1 1 d . . .
O4 O 0.1408(3) 0.4571(3) 0.4323(3) 0.0412(14) Uani 1 1 d . . .
O5 O 0.0947(4) 0.4243(3) 0.2958(3) 0.0472(16) Uani 1 1 d . . .
O6 O -0.0385(3) 0.4075(3) 0.2365(3) 0.0409(15) Uani 1 1 d . . .
O7 O 0.2076(4) 0.5549(3) 0.4007(4) 0.0504(17) Uani 1 1 d . . .
O8 O 0.2610(3) 0.5981(3) 0.5223(3) 0.0428(15) Uani 1 1 d . . .
O9 O 0.2071(3) 0.4938(3) 0.5622(3) 0.0383(14) Uani 1 1 d . . .
O10 O 0.0303(6) 0.5173(5) 0.5625(6) 0.036(3) Uani 0.5 1 d . . P
O11 O 0.0621(7) 0.5142(6) 0.5260(6) 0.040(3) Uani 0.5 1 d . . P
O12 O 0.0343(7) 0.5012(6) 0.4628(6) 0.040(3) Uani 0.5 1 d . . P
O13 O 0.2150(3) 0.5239(3) 0.7723(3) 0.0405(14) Uani 1 1 d . . .
O14 O 0.2830(3) 0.5219(3) 0.6952(3) 0.0421(15) Uani 1 1 d . . .
O15 O 0.1982(4) 0.4031(3) 0.6921(3) 0.0485(16) Uani 1 1 d . . .
O16 O 0.1066(4) 0.4141(3) 0.5986(4) 0.0502(18) Uani 1 1 d . . .
O17 O 0.1416(5) 0.3256(4) 0.6389(5) 0.076(3) Uani 1 1 d . . .
O18 O 0.0455(4) 0.6267(4) 0.4539(4) 0.061(2) Uani 1 1 d D . .
O19 O 0.1391(4) 0.6634(3) 0.4274(4) 0.0554(18) Uani 1 1 d D . .
O20 O 0.0431(9) 0.7220(7) 0.4043(8) 0.146(6) Uani 1 1 d D . .
O21 O -0.1733(3) 0.4081(3) 0.4107(3) 0.0354(13) Uani 1 1 d . . .
O22 O 0.0458(4) 0.3262(4) 0.3526(4) 0.060(2) Uani 1 1 d D . .
O23 O 0.0312(4) 0.3731(4) 0.4557(4) 0.063(2) Uani 1 1 d D . .
O24 O 0.0675(19) 0.2553(16) 0.4444(16) 0.159(12) Uani 0.5 1 d D U P
N1 N 0.0000 0.5000 0.5000 0.026(2) Uani 1 2 d S . P
N2 N 0.1481(5) 0.3781(4) 0.6429(5) 0.050(2) Uani 1 1 d . . .
N3 N 0.3355(5) 0.6386(4) 0.6750(4) 0.0468(19) Uani 1 1 d . . .
N4 N 0.3793(5) 0.5265(4) 0.6172(5) 0.051(2) Uani 1 1 d . . .
N5 N 0.1505(7) 0.5294(6) 0.2490(5) 0.070(3) Uani 1 1 d . . .
N6 N 0.2514(5) 0.4447(5) 0.3519(5) 0.064(3) Uani 1 1 d . . .
N7 N 0.0758(7) 0.6700(5) 0.4272(7) 0.098(5) Uani 1 1 d D . .
N8 N -0.1933(4) 0.3631(4) 0.1661(4) 0.0434(19) Uani 1 1 d . . .
N9 N -0.1500(6) 0.4784(4) 0.1258(4) 0.058(2) Uani 1 1 d . . .
N10 N 0.0494(14) 0.3190(10) 0.4226(10) 0.087(7) Uani 0.5 1 d D U P
C1 C -0.0547(5) 0.5556(4) 0.2761(4) 0.0357(19) Uani 1 1 d . . .
C2 C 0.0201(5) 0.5697(4) 0.3034(4) 0.037(2) Uani 1 1 d . . .
C3 C 0.0712(5) 0.4057(4) 0.2302(5) 0.044(2) Uani 1 1 d . . .
C4 C -0.0035(5) 0.3957(4) 0.1969(5) 0.039(2) Uani 1 1 d . . .
C5 C -0.0315(5) 0.3760(4) 0.1308(5) 0.041(2) Uani 1 1 d . . .
H5 H -0.0809 0.3691 0.1088 0.049 Uiso 1 1 calc R U .
C6 C 0.0104(6) 0.3654(5) 0.0939(5) 0.046(2) Uani 1 1 d . . .
C7 C 0.0849(7) 0.3730(5) 0.1279(6) 0.057(3) Uani 1 1 d . . .
C8 C 0.1140(6) 0.3931(6) 0.1969(6) 0.060(3) Uani 1 1 d . . .
H8 H 0.1636 0.3980 0.2204 0.072 Uiso 1 1 calc R U .
C9 C 0.1271(8) 0.3593(8) 0.0914(7) 0.084(5) Uani 1 1 d . . .
H9 H 0.1769 0.3636 0.1137 0.101 Uiso 1 1 calc R U .
C10 C 0.0975(8) 0.3399(7) 0.0247(7) 0.079(4) Uani 1 1 d . . .
H10 H 0.1267 0.3312 0.0012 0.095 Uiso 1 1 calc R U .
C11 C 0.0239(8) 0.3330(6) -0.0091(6) 0.065(3) Uani 1 1 d . . .
H11 H 0.0038 0.3187 -0.0551 0.078 Uiso 1 1 calc R U .
C12 C -0.0192(6) 0.3465(5) 0.0238(6) 0.053(3) Uani 1 1 d . . .
H12 H -0.0689 0.3434 -0.0003 0.064 Uiso 1 1 calc R U .
C13 C 0.2704(5) 0.5811(5) 0.4183(5) 0.046(2) Uani 1 1 d . . .
C14 C 0.3007(5) 0.6061(4) 0.4855(4) 0.038(2) Uani 1 1 d . . .
C15 C 0.2866(5) 0.5316(5) 0.8069(5) 0.044(2) Uani 1 1 d . . .
C16 C 0.3230(5) 0.5295(5) 0.7627(5) 0.043(2) Uani 1 1 d . . .
C17 C 0.3948(5) 0.5362(5) 0.7895(5) 0.049(2) Uani 1 1 d . . .
H17 H 0.4194 0.5336 0.7604 0.059 Uiso 1 1 calc R U .
C18 C 0.4328(6) 0.5473(6) 0.8618(6) 0.058(3) Uani 1 1 d . . .
C19 C 0.3952(7) 0.5508(7) 0.9045(6) 0.067(3) Uani 1 1 d . . .
C20 C 0.3214(6) 0.5409(5) 0.8754(5) 0.054(3) Uani 1 1 d . . .
H20 H 0.2962 0.5408 0.9041 0.065 Uiso 1 1 calc R U .
C21 C 0.4321(9) 0.5659(9) 0.9745(7) 0.095(6) Uani 1 1 d . . .
H21 H 0.4071 0.5683 1.0032 0.115 Uiso 1 1 calc R U .
C22 C 0.5017(8) 0.5771(13) 1.0014(9) 0.134(9) Uani 1 1 d . . .
H22 H 0.5256 0.5876 1.0486 0.160 Uiso 1 1 calc R U .
C23 C 0.5395(8) 0.5730(11) 0.9585(9) 0.122(8) Uani 1 1 d . . .
H23 H 0.5885 0.5819 0.9772 0.146 Uiso 1 1 calc R U .
C24 C 0.5064(7) 0.5565(8) 0.8909(7) 0.086(5) Uani 1 1 d . . .
H24 H 0.5328 0.5513 0.8638 0.103 Uiso 1 1 calc R U .
C25 C 0.2280(4) 0.4389(4) 0.5461(4) 0.0321(18) Uani 1 1 d . . .
C26 C 0.1898(5) 0.4196(4) 0.4759(4) 0.039(2) Uani 1 1 d . . .
C27 C 0.2061(5) 0.3663(4) 0.4580(5) 0.045(2) Uani 1 1 d . . .
H27 H 0.1809 0.3525 0.4122 0.054 Uiso 1 1 calc R U .
C28 C 0.2593(5) 0.3303(5) 0.5047(5) 0.047(2) Uani 1 1 d . . .
C29 C 0.2972(5) 0.3502(5) 0.5735(5) 0.042(2) Uani 1 1 d . . .
C30 C 0.2791(5) 0.4045(4) 0.5924(5) 0.0380(19) Uani 1 1 d . . .
H30 H 0.3028 0.4179 0.6385 0.046 Uiso 1 1 calc R U .
C31 C 0.3509(6) 0.3136(5) 0.6193(6) 0.052(3) Uani 1 1 d . . .
H31 H 0.3763 0.3269 0.6652 0.063 Uiso 1 1 calc R U .
C32 C 0.3676(5) 0.2610(5) 0.6010(6) 0.052(3) Uani 1 1 d . . .
H32 H 0.4046 0.2377 0.6329 0.062 Uiso 1 1 calc R U .
C33 C 0.3287(6) 0.2406(5) 0.5323(6) 0.057(3) Uani 1 1 d . . .
H33 H 0.3400 0.2031 0.5189 0.068 Uiso 1 1 calc R U .
C34 C 0.2756(6) 0.2735(5) 0.4854(6) 0.058(3) Uani 1 1 d . . .
H34 H 0.2497 0.2586 0.4403 0.069 Uiso 1 1 calc R U .
C35 C 0.3541(7) 0.6715(5) 0.7148(6) 0.059(3) Uani 1 1 d . . .
C36 C 0.3834(13) 0.7148(9) 0.7721(8) 0.117(6) Uani 1 1 d . U .
H36A H 0.3970 0.6939 0.8161 0.175 Uiso 1 1 calc R U .
H36B H 0.3477 0.7448 0.7677 0.175 Uiso 1 1 calc R U .
H36C H 0.4250 0.7341 0.7703 0.175 Uiso 1 1 calc R U .
C37 C 0.4211(11) 0.5137(9) 0.6014(13) 0.123(8) Uani 1 1 d . . .
C38 C 0.4761(17) 0.4970(16) 0.5755(19) 0.201(13) Uani 1 1 d . U .
H38A H 0.4531 0.4870 0.5265 0.301 Uiso 1 1 calc R U .
H38B H 0.5027 0.4625 0.6013 0.301 Uiso 1 1 calc R U .
H38C H 0.5084 0.5305 0.5819 0.301 Uiso 1 1 calc R U .
C39 C 0.3641(6) 0.6337(5) 0.5092(5) 0.050(2) Uani 1 1 d . . .
H39 H 0.3839 0.6489 0.5549 0.060 Uiso 1 1 calc R U .
C40 C 0.4013(6) 0.6402(5) 0.4663(6) 0.057(3) Uani 1 1 d . . .
C41 C 0.3723(7) 0.6138(8) 0.3993(6) 0.075(4) Uani 1 1 d . . .
C42 C 0.3065(7) 0.5842(6) 0.3766(6) 0.063(3) Uani 1 1 d . . .
H42 H 0.2872 0.5663 0.3323 0.076 Uiso 1 1 calc R U .
C43 C 0.4116(10) 0.6192(9) 0.3598(9) 0.105(6) Uani 1 1 d . . .
H43 H 0.3946 0.6006 0.3160 0.126 Uiso 1 1 calc R U .
C44 C 0.4731(8) 0.6497(9) 0.3813(8) 0.098(6) Uani 1 1 d . . .
H44 H 0.4969 0.6536 0.3517 0.117 Uiso 1 1 calc R U .
C45 C 0.5011(8) 0.6749(8) 0.4454(8) 0.090(5) Uani 1 1 d . . .
H45 H 0.5449 0.6953 0.4609 0.108 Uiso 1 1 calc R U .
C46 C 0.4649(7) 0.6702(7) 0.4869(7) 0.075(4) Uani 1 1 d . . .
H46 H 0.4842 0.6880 0.5312 0.090 Uiso 1 1 calc R U .
C47 C 0.1488(19) 0.5547(16) 0.2078(19) 0.176(12) Uani 1 1 d D U .
C48 C 0.153(4) 0.603(3) 0.155(3) 0.45(3) Uani 1 1 d D U .
H48A H 0.1700 0.6404 0.1785 0.450 Uiso 1 1 calc R U .
H48B H 0.1066 0.6080 0.1174 0.450 Uiso 1 1 calc R U .
H48C H 0.1864 0.5886 0.1355 0.450 Uiso 1 1 calc R U .
C49 C 0.2975(9) 0.4132(11) 0.3662(12) 0.118(7) Uani 1 1 d . . .
C50 C 0.3560(14) 0.3691(15) 0.3872(18) 0.181(11) Uani 1 1 d . U .
H50A H 0.3414 0.3347 0.3563 0.272 Uiso 1 1 calc R U .
H50B H 0.3674 0.3562 0.4345 0.272 Uiso 1 1 calc R U .
H50C H 0.3977 0.3874 0.3845 0.272 Uiso 1 1 calc R U .
C51 C 0.0431(6) 0.6182(5) 0.2813(5) 0.049(2) Uani 1 1 d . . .
H51 H 0.0921 0.6270 0.3003 0.059 Uiso 1 1 calc R U .
C52 C -0.0046(5) 0.6562(4) 0.2304(5) 0.042(2) Uani 1 1 d . . .
C53 C -0.0769(5) 0.6424(4) 0.2031(4) 0.044(2) Uani 1 1 d . . .
C54 C -0.1006(5) 0.5913(4) 0.2272(5) 0.043(2) Uani 1 1 d . . .
H54 H -0.1495 0.5821 0.2086 0.051 Uiso 1 1 calc R U .
C55 C -0.1257(6) 0.6784(5) 0.1507(5) 0.054(3) Uani 1 1 d . . .
H55 H -0.1743 0.6679 0.1306 0.065 Uiso 1 1 calc R U .
C56 C -0.1027(7) 0.7289(5) 0.1286(5) 0.053(3) Uani 1 1 d . . .
H56 H -0.1357 0.7536 0.0945 0.064 Uiso 1 1 calc R U .
C57 C -0.0308(7) 0.7435(5) 0.1568(5) 0.056(3) Uani 1 1 d . . .
H57 H -0.0150 0.7778 0.1412 0.067 Uiso 1 1 calc R U .
C58 C 0.0164(7) 0.7084(5) 0.2065(6) 0.055(3) Uani 1 1 d . . .
H58 H 0.0648 0.7193 0.2257 0.066 Uiso 1 1 calc R U .
C59 C -0.2341(6) 0.3298(5) 0.1395(6) 0.051(2) Uani 1 1 d . . .
C60 C -0.2923(9) 0.2894(9) 0.1012(12) 0.118(6) Uani 1 1 d . U .
H60A H -0.3370 0.3070 0.0970 0.176 Uiso 1 1 calc R U .
H60B H -0.2852 0.2514 0.1258 0.176 Uiso 1 1 calc R U .
H60C H -0.2935 0.2826 0.0552 0.176 Uiso 1 1 calc R U .
C61 C -0.1667(14) 0.5035(11) 0.0787(13) 0.124(7) Uani 1 1 d D U .
C62 C -0.209(2) 0.5421(18) 0.0114(18) 0.230(17) Uani 1 1 d D U .
H62A H -0.2493 0.5189 -0.0205 0.345 Uiso 1 1 calc R U .
H62B H -0.1782 0.5529 -0.0110 0.345 Uiso 1 1 calc R U .
H62C H -0.2272 0.5783 0.0246 0.345 Uiso 1 1 calc R U .
C63 C -0.1263(5) 0.3521(4) 0.3433(4) 0.0364(19) Uani 1 1 d . . .
C64 C -0.1609(4) 0.3535(4) 0.3901(4) 0.0350(19) Uani 1 1 d . . .
C65 C -0.1798(5) 0.3015(4) 0.4105(5) 0.041(2) Uani 1 1 d . . .
H65 H -0.2022 0.3025 0.4415 0.049 Uiso 1 1 calc R U .
C66 C -0.1669(5) 0.2457(4) 0.3864(5) 0.044(2) Uani 1 1 d . . .
C67 C -0.1365(6) 0.2453(4) 0.3384(5) 0.047(2) Uani 1 1 d . . .
C68 C -0.1156(6) 0.2977(4) 0.3170(5) 0.047(2) Uani 1 1 d . . .
H68 H -0.0944 0.2965 0.2849 0.056 Uiso 1 1 calc R U .
C69 C -0.1261(7) 0.1903(5) 0.3121(6) 0.063(3) Uani 1 1 d . . .
H69 H -0.1051 0.1894 0.2798 0.075 Uiso 1 1 calc R U .
C70 C -0.1462(8) 0.1372(4) 0.3328(6) 0.069(4) Uani 1 1 d . . .
H70 H -0.1401 0.1006 0.3136 0.083 Uiso 1 1 calc R U .
C71 C -0.1759(6) 0.1379(5) 0.3826(7) 0.063(3) Uani 1 1 d . . .
H71 H -0.1890 0.1019 0.3976 0.076 Uiso 1 1 calc R U .
C72 C -0.1850(6) 0.1915(5) 0.4084(7) 0.059(3) Uani 1 1 d . . .
H72 H -0.2041 0.1922 0.4422 0.070 Uiso 1 1 calc R U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0010 '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'
Co Co 0.3530 0.8960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd 0.0800 3.9840 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 '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
O6 Gd1 O5 65.8(2) . .
O6 Gd1 O2 71.5(2) . .
O5 Gd1 O2 111.3(2) . .
O6 Gd1 O3 103.9(2) . .
O5 Gd1 O3 74.2(2) . .
O2 Gd1 O3 66.9(2) . .
O6 Gd1 O4 135.8(2) . .
O5 Gd1 O4 70.1(2) . .
O2 Gd1 O4 124.9(2) . .
O3 Gd1 O4 60.7(2) . .
O6 Gd1 O22 77.2(3) . .
O5 Gd1 O22 73.8(3) . .
O2 Gd1 O22 141.6(2) . .
O3 Gd1 O22 144.0(3) . .
O4 Gd1 O22 93.0(3) . .
O6 Gd1 O23 128.7(3) . .
O5 Gd1 O23 124.3(3) . .
O2 Gd1 O23 124.5(3) . .
O3 Gd1 O23 127.5(2) . .
O4 Gd1 O23 79.3(2) . .
O22 Gd1 O23 62.4(3) . .
O6 Gd1 O1 70.4(2) . .
O5 Gd1 O1 135.3(2) . .
O2 Gd1 O1 60.5(2) . .
O3 Gd1 O1 126.2(2) . .
O4 Gd1 O1 153.3(2) . .
O22 Gd1 O1 88.6(2) . .
O23 Gd1 O1 77.9(2) . .
O6 Gd1 O10 130.2(3) . 3_566
O5 Gd1 O10 155.1(3) . 3_566
O2 Gd1 O10 66.1(3) . 3_566
O3 Gd1 O10 82.7(3) . 3_566
O4 Gd1 O10 90.9(3) . 3_566
O22 Gd1 O10 124.7(3) . 3_566
O23 Gd1 O10 64.3(3) . 3_566
O1 Gd1 O10 66.7(3) . 3_566
O6 Gd1 O12 151.5(3) . .
O5 Gd1 O12 128.7(3) . .
O2 Gd1 O12 80.1(3) . .
O3 Gd1 O12 64.8(3) . .
O4 Gd1 O12 63.7(3) . .
O22 Gd1 O12 128.0(4) . .
O23 Gd1 O12 67.6(4) . .
O1 Gd1 O12 94.7(3) . .
O10 Gd1 O12 28.0(4) 3_566 .
O6 Gd1 N10 103.8(4) . .
O5 Gd1 N10 98.2(4) . .
O2 Gd1 N10 143.6(5) . .
O3 Gd1 N10 144.9(5) . .
O4 Gd1 N10 84.4(5) . .
O22 Gd1 N10 30.6(3) . .
O23 Gd1 N10 31.9(3) . .
O1 Gd1 N10 83.6(5) . .
O10 Gd1 N10 95.5(4) 3_566 .
O12 Gd1 N10 98.2(4) . .
O6 Gd1 Co2 95.03(16) . .
O5 Gd1 Co2 35.86(17) . .
O2 Gd1 Co2 104.22(15) . .
O3 Gd1 Co2 44.10(17) . .
O4 Gd1 Co2 43.73(16) . .
O22 Gd1 Co2 100.0(2) . .
O23 Gd1 Co2 120.89(19) . .
O1 Gd1 Co2 161.17(14) . .
O10 Gd1 Co2 119.4(3) 3_566 .
O12 Gd1 Co2 93.1(3) . .
N10 Gd1 Co2 112.2(5) . .
O7 Gd2 O8 66.2(2) . .
O7 Gd2 O9 103.9(3) . .
O8 Gd2 O9 74.5(2) . .
O7 Gd2 O4 72.8(2) . .
O8 Gd2 O4 113.4(2) . .
O9 Gd2 O4 67.2(2) . .
O7 Gd2 O3 70.8(2) . .
O8 Gd2 O3 135.9(2) . .
O9 Gd2 O3 126.7(2) . .
O4 Gd2 O3 60.5(2) . .
O7 Gd2 O18 126.7(3) . .
O8 Gd2 O18 118.6(3) . .
O9 Gd2 O18 129.2(3) . .
O4 Gd2 O18 127.9(2) . .
O3 Gd2 O18 80.1(2) . .
O7 Gd2 O21 134.9(2) . 3_566
O8 Gd2 O21 68.8(2) . 3_566
O9 Gd2 O21 60.7(2) . 3_566
O4 Gd2 O21 124.9(2) . 3_566
O3 Gd2 O21 153.7(2) . 3_566
O18 Gd2 O21 78.2(2) . 3_566
O7 Gd2 O19 77.1(3) . .
O8 Gd2 O19 73.9(2) . .
O9 Gd2 O19 144.7(2) . .
O4 Gd2 O19 141.7(2) . .
O3 Gd2 O19 87.5(2) . .
O18 Gd2 O19 57.5(3) . .
O21 Gd2 O19 93.2(2) 3_566 .
O7 Gd2 O12 130.3(3) . .
O8 Gd2 O12 156.3(3) . .
O9 Gd2 O12 84.0(3) . .
O4 Gd2 O12 65.4(3) . .
O3 Gd2 O12 65.9(3) . .
O18 Gd2 O12 68.2(4) . .
O21 Gd2 O12 92.2(3) 3_566 .
O19 Gd2 O12 122.8(4) . .
O7 Gd2 O11 153.0(3) . .
O8 Gd2 O11 130.1(3) . .
O9 Gd2 O11 67.5(3) . .
O4 Gd2 O11 80.4(3) . .
O3 Gd2 O11 93.4(3) . .
O18 Gd2 O11 68.7(4) . .
O21 Gd2 O11 64.9(3) 3_566 .
O19 Gd2 O11 125.2(3) . .
O12 Gd2 O11 27.6(4) . .
O7 Gd2 N7 100.7(4) . .
O8 Gd2 N7 97.0(3) . .
O9 Gd2 N7 147.7(3) . .
O4 Gd2 N7 141.5(3) . .
O3 Gd2 N7 81.3(3) . .
O18 Gd2 N7 29.7(3) . .
O21 Gd2 N7 87.1(3) 3_566 .
O19 Gd2 N7 27.9(3) . .
O12 Gd2 N7 95.9(4) . .
O11 Gd2 N7 98.2(4) . .
O7 Gd2 Co3 95.11(18) . .
O8 Gd2 Co3 36.80(16) . .
O9 Gd2 Co3 42.70(15) . .
O4 Gd2 Co3 103.72(15) . .
O3 Gd2 Co3 160.96(17) . .
O18 Gd2 Co3 118.98(17) . .
O21 Gd2 Co3 43.42(14) 3_566 .
O19 Gd2 Co3 102.13(18) . .
O12 Gd2 Co3 119.5(3) . .
O11 Gd2 Co3 94.3(3) . .
N7 Gd2 Co3 114.7(3) . .
O14 Gd3 O13 66.4(2) . .
O14 Gd3 O21 76.4(2) . 3_566
O13 Gd3 O21 111.7(2) . 3_566
O14 Gd3 O1 109.9(2) . 3_566
O13 Gd3 O1 74.1(2) . 3_566
O21 Gd3 O1 67.7(2) 3_566 3_566
O14 Gd3 O16 122.0(2) . .
O13 Gd3 O16 124.8(2) . .
O21 Gd3 O16 123.4(2) 3_566 .
O1 Gd3 O16 128.0(2) 3_566 .
O14 Gd3 O2 136.3(2) . 3_566
O13 Gd3 O2 70.3(2) . 3_566
O21 Gd3 O2 125.8(2) 3_566 3_566
O1 Gd3 O2 61.0(2) 3_566 3_566
O16 Gd3 O2 79.8(2) . 3_566
O14 Gd3 O9 68.1(2) . .
O13 Gd3 O9 134.2(2) . .
O21 Gd3 O9 60.3(2) 3_566 .
O1 Gd3 O9 127.0(2) 3_566 .
O16 Gd3 O9 77.4(2) . .
O2 Gd3 O9 153.9(2) 3_566 .
O14 Gd3 O15 82.5(2) . .
O13 Gd3 O15 80.9(2) . .
O21 Gd3 O15 147.7(2) 3_566 .
O1 Gd3 O15 143.7(2) 3_566 .
O16 Gd3 O15 51.2(2) . .
O2 Gd3 O15 86.2(2) 3_566 .
O9 Gd3 O15 89.2(2) . .
O14 Gd3 O10 155.2(3) . .
O13 Gd3 O10 131.9(3) . .
O21 Gd3 O10 80.3(3) 3_566 .
O1 Gd3 O10 68.0(3) 3_566 .
O16 Gd3 O10 65.3(3) . .
O2 Gd3 O10 65.9(3) 3_566 .
O9 Gd3 O10 93.0(3) . .
O15 Gd3 O10 114.2(3) . .
O14 Gd3 O11 131.2(3) . .
O13 Gd3 O11 156.7(3) . .
O21 Gd3 O11 66.2(3) 3_566 .
O1 Gd3 O11 84.2(3) 3_566 .
O16 Gd3 O11 63.2(3) . .
O2 Gd3 O11 91.8(3) 3_566 .
O9 Gd3 O11 66.6(3) . .
O15 Gd3 O11 113.6(3) . .
O10 Gd3 O11 26.4(4) . .
O14 Gd3 N2 103.1(2) . .
O13 Gd3 N2 103.0(2) . .
O21 Gd3 N2 141.1(2) 3_566 .
O1 Gd3 N2 141.6(2) 3_566 .
O16 Gd3 N2 25.6(2) . .
O2 Gd3 N2 81.8(2) 3_566 .
O9 Gd3 N2 83.1(2) . .
O15 Gd3 N2 25.6(2) . .
O10 Gd3 N2 89.6(3) . .
O11 Gd3 N2 88.5(3) . .
O14 Gd3 Co3 36.98(16) . .
O13 Gd3 Co3 97.64(17) . .
O21 Gd3 Co3 43.81(15) 3_566 .
O1 Gd3 Co3 102.24(15) 3_566 .
O16 Gd3 Co3 119.1(2) . .
O2 Gd3 Co3 161.01(15) 3_566 .
O9 Gd3 Co3 42.99(15) . .
O15 Gd3 Co3 106.86(17) . .
O10 Gd3 Co3 118.3(3) . .
O11 Gd3 Co3 95.3(3) . .
N2 Gd3 Co3 115.95(17) . .
O6 Co1 O13 163.1(3) . 3_566
O6 Co1 N8 100.0(3) . .
O13 Co1 N8 94.1(3) 3_566 .
O6 Co1 N9 95.2(4) . .
O13 Co1 N9 93.8(4) 3_566 .
N8 Co1 N9 91.0(4) . .
O6 Co1 O1 82.9(2) . .
O13 Co1 O1 85.7(2) 3_566 .
N8 Co1 O1 99.4(3) . .
N9 Co1 O1 169.6(3) . .
O6 Co1 O2 82.5(3) . .
O13 Co1 O2 81.6(2) 3_566 .
N8 Co1 O2 165.8(3) . .
N9 Co1 O2 102.7(3) . .
O1 Co1 O2 66.9(2) . .
O6 Co1 Gd3 118.24(17) . 3_566
O13 Co1 Gd3 45.55(17) 3_566 3_566
N8 Co1 Gd3 119.4(2) . 3_566
N9 Co1 Gd3 126.6(3) . 3_566
O1 Co1 Gd3 47.58(16) . 3_566
O2 Co1 Gd3 48.88(16) . 3_566
O6 Co1 Gd1 44.55(17) . .
O13 Co1 Gd1 118.89(18) 3_566 .
N8 Co1 Gd1 126.7(2) . .
N9 Co1 Gd1 123.8(3) . .
O1 Co1 Gd1 48.80(17) . .
O2 Co1 Gd1 47.24(16) . .
Gd3 Co1 Gd1 73.70(3) 3_566 .
O7 Co2 O5 163.1(3) . .
O7 Co2 N5 97.0(4) . .
O5 Co2 N5 95.7(4) . .
O7 Co2 N6 94.4(4) . .
O5 Co2 N6 95.9(4) . .
N5 Co2 N6 92.8(5) . .
O7 Co2 O4 83.6(3) . .
O5 Co2 O4 81.3(3) . .
N5 Co2 O4 165.7(4) . .
N6 Co2 O4 101.4(3) . .
O7 Co2 O3 81.3(3) . .
O5 Co2 O3 85.6(3) . .
N5 Co2 O3 100.3(4) . .
N6 Co2 O3 166.6(3) . .
O4 Co2 O3 65.6(2) . .
O7 Co2 Gd1 118.3(2) . .
O5 Co2 Gd1 45.0(2) . .
N5 Co2 Gd1 120.8(4) . .
N6 Co2 Gd1 126.4(3) . .
O4 Co2 Gd1 48.33(17) . .
O3 Co2 Gd1 47.77(17) . .
O7 Co2 Gd2 43.7(2) . .
O5 Co2 Gd2 119.4(2) . .
N5 Co2 Gd2 125.0(3) . .
N6 Co2 Gd2 120.8(3) . .
O4 Co2 Gd2 47.73(17) . .
O3 Co2 Gd2 48.39(16) . .
Gd1 Co2 Gd2 74.65(3) . .
O14 Co3 O8 164.2(3) . .
O14 Co3 N3 92.2(3) . .
O8 Co3 N3 99.3(3) . .
O14 Co3 N4 97.6(3) . .
O8 Co3 N4 92.3(3) . .
N3 Co3 N4 94.7(4) . .
O14 Co3 O9 79.8(2) . .
O8 Co3 O9 86.2(3) . .
N3 Co3 O9 162.5(3) . .
N4 Co3 O9 101.8(3) . .
O14 Co3 O21 87.5(3) . 3_566
O8 Co3 O21 80.3(2) . 3_566
N3 Co3 O21 97.6(3) . 3_566
N4 Co3 O21 166.5(3) . 3_566
O9 Co3 O21 66.7(2) . 3_566
O14 Co3 Gd3 45.18(19) . .
O8 Co3 Gd3 119.40(19) . .
N3 Co3 Gd3 114.1(2) . .
N4 Co3 Gd3 130.6(3) . .
O9 Co3 Gd3 49.74(16) . .
O21 Co3 Gd3 47.69(16) 3_566 .
O14 Co3 Gd2 118.60(19) . .
O8 Co3 Gd2 45.61(19) . .
N3 Co3 Gd2 128.8(2) . .
N4 Co3 Gd2 118.0(3) . .
O9 Co3 Gd2 46.81(17) . .
O21 Co3 Gd2 49.16(15) 3_566 .
Gd3 Co3 Gd2 74.62(3) . .
C63 O1 Co1 123.5(5) . .
C63 O1 Gd3 116.2(5) . 3_566
Co1 O1 Gd3 89.3(2) . 3_566
C63 O1 Gd1 124.5(5) . .
Co1 O1 Gd1 88.6(2) . .
Gd3 O1 Gd1 107.1(2) 3_566 .
C1 O2 Co1 118.4(5) . .
C1 O2 Gd1 117.0(5) . .
Co1 O2 Gd1 89.8(2) . .
C1 O2 Gd3 127.1(5) . 3_566
Co1 O2 Gd3 87.6(2) . 3_566
Gd1 O2 Gd3 107.4(2) . 3_566
C2 O3 Co2 121.0(6) . .
C2 O3 Gd1 116.1(5) . .
Co2 O3 Gd1 88.1(2) . .
C2 O3 Gd2 125.8(5) . .
Co2 O3 Gd2 87.6(2) . .
Gd1 O3 Gd2 109.0(3) . .
C26 O4 Co2 117.0(6) . .
C26 O4 Gd2 116.7(5) . .
Co2 O4 Gd2 88.6(2) . .
C26 O4 Gd1 127.0(6) . .
Co2 O4 Gd1 87.9(2) . .
Gd2 O4 Gd1 109.2(2) . .
C3 O5 Co2 128.3(7) . .
C3 O5 Gd1 121.9(6) . .
Co2 O5 Gd1 99.1(3) . .
C4 O6 Co1 134.7(6) . .
C4 O6 Gd1 122.6(5) . .
Co1 O6 Gd1 99.5(2) . .
C13 O7 Co2 134.6(7) . .
C13 O7 Gd2 122.1(6) . .
Co2 O7 Gd2 100.7(3) . .
C14 O8 Co3 130.9(6) . .
C14 O8 Gd2 120.8(5) . .
Co3 O8 Gd2 97.6(3) . .
C25 O9 Co3 121.3(5) . .
C25 O9 Gd2 117.8(5) . .
Co3 O9 Gd2 90.5(2) . .
C25 O9 Gd3 123.4(5) . .
Co3 O9 Gd3 87.3(2) . .
Gd2 O9 Gd3 108.6(2) . .
O11 O10 N1 58.6(8) . .
O11 O10 O12 117.2(12) . 3_566
N1 O10 O12 58.8(7) . 3_566
O11 O10 Gd3 77.8(8) . .
N1 O10 Gd3 131.1(8) . .
O12 O10 Gd3 150.1(10) 3_566 .
O11 O10 Gd1 157.2(10) . 3_566
N1 O10 Gd1 132.1(7) . 3_566
O12 O10 Gd1 78.3(8) 3_566 3_566
Gd3 O10 Gd1 96.6(4) . 3_566
O10 O11 N1 63.6(8) . .
O10 O11 O12 124.5(13) . .
N1 O11 O12 61.1(8) . .
O10 O11 Gd3 75.7(8) . .
N1 O11 Gd3 133.6(8) . .
O12 O11 Gd3 153.9(11) . .
O10 O11 Gd2 152.3(11) . .
N1 O11 Gd2 130.7(7) . .
O12 O11 Gd2 73.1(8) . .
Gd3 O11 Gd2 95.8(4) . .
N1 O12 O11 57.7(8) . .
N1 O12 O10 60.0(8) . 3_566
O11 O12 O10 117.6(12) . 3_566
N1 O12 Gd2 133.3(7) . .
O11 O12 Gd2 79.3(8) . .
O10 O12 Gd2 158.3(10) 3_566 .
N1 O12 Gd1 129.0(7) . .
O11 O12 Gd1 153.0(11) . .
O10 O12 Gd1 73.7(7) 3_566 .
Gd2 O12 Gd1 97.4(4) . .
C15 O13 Co1 131.7(6) . 3_566
C15 O13 Gd3 122.0(6) . .
Co1 O13 Gd3 97.5(2) 3_566 .
C16 O14 Co3 129.9(6) . .
C16 O14 Gd3 122.2(6) . .
Co3 O14 Gd3 97.8(3) . .
N2 O15 Gd3 96.0(6) . .
N2 O16 Gd3 98.6(5) . .
N7 O18 Gd2 89.3(6) . .
N7 O19 Gd2 90.7(7) . .
C64 O21 Co3 118.9(5) . 3_566
C64 O21 Gd3 117.4(5) . 3_566
Co3 O21 Gd3 88.5(2) 3_566 3_566
C64 O21 Gd2 126.5(5) . 3_566
Co3 O21 Gd2 87.4(2) 3_566 3_566
Gd3 O21 Gd2 108.1(2) 3_566 3_566
N10 O22 Gd1 91.2(9) . .
N10 O23 Gd1 89.0(9) . .
O11 N1 O11 180.0(7) 3_566 .
O11 N1 O12 118.8(8) 3_566 .
O11 N1 O12 61.2(8) . .
O11 N1 O12 61.2(8) 3_566 3_566
O11 N1 O12 118.8(8) . 3_566
O12 N1 O12 180.0 . 3_566
O11 N1 O10 57.7(8) 3_566 3_566
O11 N1 O10 122.3(8) . 3_566
O12 N1 O10 61.2(8) . 3_566
O12 N1 O10 118.8(8) 3_566 3_566
O11 N1 O10 122.3(8) 3_566 .
O11 N1 O10 57.7(8) . .
O12 N1 O10 118.8(8) . .
O12 N1 O10 61.2(8) 3_566 .
O10 N1 O10 180.0(11) 3_566 .
O17 N2 O15 122.1(10) . .
O17 N2 O16 123.7(10) . .
O15 N2 O16 114.2(8) . .
O17 N2 Gd3 178.9(8) . .
O15 N2 Gd3 58.4(5) . .
O16 N2 Gd3 55.8(5) . .
C35 N3 Co3 163.5(9) . .
C37 N4 Co3 160.7(14) . .
C47 N5 Co2 172(2) . .
C49 N6 Co2 166.6(15) . .
O19 N7 O20 117.1(13) . .
O19 N7 O18 122.1(10) . .
O20 N7 O18 120.7(13) . .
O19 N7 Gd2 61.4(5) . .
O20 N7 Gd2 177.3(12) . .
O18 N7 Gd2 61.0(5) . .
C59 N8 Co1 167.5(9) . .
C61 N9 Co1 169.6(17) . .
O22 N10 O24 108.7(17) . .
O22 N10 O23 117.2(16) . .
O24 N10 O23 134(2) . .
O22 N10 Gd1 58.3(8) . .
O24 N10 Gd1 167.0(17) . .
O23 N10 Gd1 59.1(8) . .
C54 C1 O2 123.9(9) . .
C54 C1 C2 118.8(9) . .
O2 C1 C2 117.1(8) . .
C51 C2 O3 122.9(9) . .
C51 C2 C1 120.5(9) . .
O3 C2 C1 116.6(8) . .
O5 C3 C8 124.2(9) . .
O5 C3 C4 115.1(8) . .
C8 C3 C4 120.6(9) . .
O6 C4 C5 126.9(8) . .
O6 C4 C3 114.2(8) . .
C5 C4 C3 118.9(8) . .
C4 C5 C6 122.1(9) . .
C4 C5 H5 119.0 . .
C6 C5 H5 119.0 . .
C5 C6 C12 122.2(10) . .
C5 C6 C7 118.9(9) . .
C12 C6 C7 118.9(9) . .
C8 C7 C9 122.7(12) . .
C8 C7 C6 118.8(10) . .
C9 C7 C6 118.5(11) . .
C3 C8 C7 120.6(10) . .
C3 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
C10 C9 C7 121.3(14) . .
C10 C9 H9 119.3 . .
C7 C9 H9 119.3 . .
C9 C10 C11 120.2(12) . .
C9 C10 H10 119.9 . .
C11 C10 H10 119.9 . .
C12 C11 C10 120.6(11) . .
C12 C11 H11 119.7 . .
C10 C11 H11 119.7 . .
C11 C12 C6 120.4(11) . .
C11 C12 H12 119.8 . .
C6 C12 H12 119.8 . .
O7 C13 C42 124.5(10) . .
O7 C13 C14 115.9(9) . .
C42 C13 C14 119.6(10) . .
C39 C14 O8 124.8(9) . .
C39 C14 C13 121.5(9) . .
O8 C14 C13 113.8(8) . .
C20 C15 O13 125.6(10) . .
C20 C15 C16 121.5(9) . .
O13 C15 C16 112.9(8) . .
O14 C16 C17 123.5(9) . .
O14 C16 C15 116.5(8) . .
C17 C16 C15 120.0(9) . .
C16 C17 C18 119.7(10) . .
C16 C17 H17 120.2 . .
C18 C17 H17 120.2 . .
C24 C18 C19 119.3(11) . .
C24 C18 C17 121.3(12) . .
C19 C18 C17 119.3(10) . .
C21 C19 C20 121.6(13) . .
C21 C19 C18 119.0(12) . .
C20 C19 C18 119.4(10) . .
C15 C20 C19 120.1(11) . .
C15 C20 H20 119.9 . .
C19 C20 H20 119.9 . .
C22 C21 C19 121.5(17) . .
C22 C21 H21 119.2 . .
C19 C21 H21 119.2 . .
C21 C22 C23 119.3(15) . .
C21 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
C24 C23 C22 121.2(15) . .
C24 C23 H23 119.4 . .
C22 C23 H23 119.4 . .
C23 C24 C18 119.5(16) . .
C23 C24 H24 120.3 . .
C18 C24 H24 120.3 . .
C30 C25 O9 123.7(8) . .
C30 C25 C26 121.1(8) . .
O9 C25 C26 115.2(7) . .
C27 C26 O4 124.6(8) . .
C27 C26 C25 117.8(8) . .
O4 C26 C25 117.6(8) . .
C26 C27 C28 122.1(9) . .
C26 C27 H27 118.9 . .
C28 C27 H27 118.9 . .
C27 C28 C29 119.5(9) . .
C27 C28 C34 121.7(10) . .
C29 C28 C34 118.8(10) . .
C30 C29 C31 123.1(9) . .
C30 C29 C28 118.3(9) . .
C31 C29 C28 118.6(10) . .
C25 C30 C29 121.1(9) . .
C25 C30 H30 119.5 . .
C29 C30 H30 119.5 . .
C32 C31 C29 122.8(11) . .
C32 C31 H31 118.6 . .
C29 C31 H31 118.6 . .
C31 C32 C33 118.6(10) . .
C31 C32 H32 120.7 . .
C33 C32 H32 120.7 . .
C34 C33 C32 121.6(10) . .
C34 C33 H33 119.2 . .
C32 C33 H33 119.2 . .
C33 C34 C28 119.5(11) . .
C33 C34 H34 120.2 . .
C28 C34 H34 120.2 . .
N3 C35 C36 176.6(17) . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N4 C37 C38 177(3) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C14 C39 C40 120.4(10) . .
C14 C39 H39 119.8 . .
C40 C39 H39 119.8 . .
C46 C40 C39 122.8(11) . .
C46 C40 C41 118.7(11) . .
C39 C40 C41 118.5(10) . .
C43 C41 C42 123.7(12) . .
C43 C41 C40 116.8(12) . .
C42 C41 C40 119.5(11) . .
C13 C42 C41 120.4(11) . .
C13 C42 H42 119.8 . .
C41 C42 H42 119.8 . .
C44 C43 C41 122.8(15) . .
C44 C43 H43 118.6 . .
C41 C43 H43 118.6 . .
C43 C44 C45 120.5(13) . .
C43 C44 H44 119.7 . .
C45 C44 H44 119.7 . .
C44 C45 C46 119.0(13) . .
C44 C45 H45 120.5 . .
C46 C45 H45 120.5 . .
C45 C46 C40 122.1(12) . .
C45 C46 H46 118.9 . .
C40 C46 H46 118.9 . .
N5 C47 C48 169(5) . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
N6 C49 C50 176(3) . .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C2 C51 C52 121.3(10) . .
C2 C51 H51 119.4 . .
C52 C51 H51 119.4 . .
C53 C52 C58 117.8(9) . .
C53 C52 C51 118.5(9) . .
C58 C52 C51 123.6(10) . .
C52 C53 C55 120.0(10) . .
C52 C53 C54 119.7(8) . .
C55 C53 C54 120.3(10) . .
C1 C54 C53 121.2(9) . .
C1 C54 H54 119.4 . .
C53 C54 H54 119.4 . .
C56 C55 C53 120.0(11) . .
C56 C55 H55 120.0 . .
C53 C55 H55 120.0 . .
C55 C56 C57 120.1(10) . .
C55 C56 H56 120.0 . .
C57 C56 H56 120.0 . .
C58 C57 C56 120.0(11) . .
C58 C57 H57 120.0 . .
C56 C57 H57 120.0 . .
C57 C58 C52 122.0(12) . .
C57 C58 H58 119.0 . .
C52 C58 H58 119.0 . .
N8 C59 C60 175.4(15) . .
C59 C60 H60A 109.5 . .
C59 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C59 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
N9 C61 C62 166(3) . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
O1 C63 C68 123.2(9) . .
O1 C63 C64 117.0(8) . .
C68 C63 C64 119.8(9) . .
C65 C64 O21 124.0(8) . .
C65 C64 C63 119.2(8) . .
O21 C64 C63 116.8(8) . .
C64 C65 C66 121.7(9) . .
C64 C65 H65 119.2 . .
C66 C65 H65 119.2 . .
C67 C66 C72 119.8(10) . .
C67 C66 C65 118.3(9) . .
C72 C66 C65 121.9(10) . .
C68 C67 C66 121.6(8) . .
C68 C67 C69 119.7(11) . .
C66 C67 C69 118.7(10) . .
C67 C68 C63 119.2(9) . .
C67 C68 H68 120.4 . .
C63 C68 H68 120.4 . .
C70 C69 C67 120.9(12) . .
C70 C69 H69 119.5 . .
C67 C69 H69 119.5 . .
C69 C70 C71 120.1(10) . .
C69 C70 H70 120.0 . .
C71 C70 H70 120.0 . .
C72 C71 C70 118.6(11) . .
C72 C71 H71 120.7 . .
C70 C71 H71 120.7 . .
C71 C72 C66 121.9(13) . .
C71 C72 H72 119.0 . .
C66 C72 H72 119.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O6 2.349(6) .
Gd1 O5 2.355(7) .
Gd1 O2 2.424(6) .
Gd1 O3 2.434(7) .
Gd1 O4 2.456(6) .
Gd1 O22 2.457(8) .
Gd1 O23 2.478(8) .
Gd1 O1 2.485(7) .
Gd1 O10 2.647(13) 3_566
Gd1 O12 2.701(11) .
Gd1 N10 2.89(2) .
Gd1 Co2 3.2854(16) .
Gd2 O7 2.317(7) .
Gd2 O8 2.358(6) .
Gd2 O9 2.384(6) .
Gd2 O4 2.437(7) .
Gd2 O3 2.464(6) .
Gd2 O18 2.469(8) .
Gd2 O21 2.477(6) 3_566
Gd2 O19 2.479(8) .
Gd2 O12 2.607(12) .
Gd2 O11 2.677(13) .
Gd2 N7 2.823(11) .
Gd2 Co3 3.2705(13) .
Gd3 O14 2.327(6) .
Gd3 O13 2.354(6) .
Gd3 O21 2.404(6) 3_566
Gd3 O1 2.413(6) 3_566
Gd3 O16 2.440(7) .
Gd3 O2 2.465(6) 3_566
Gd3 O9 2.483(6) .
Gd3 O15 2.500(7) .
Gd3 O10 2.629(11) .
Gd3 O11 2.651(12) .
Gd3 N2 2.918(9) .
Gd3 Co3 3.2496(14) .
Co1 O6 1.966(6) .
Co1 O13 1.982(7) 3_566
Co1 N8 2.085(8) .
Co1 N9 2.097(9) .
Co1 O1 2.235(6) .
Co1 O2 2.252(6) .
Co1 Gd3 3.2689(13) 3_566
Co2 O7 1.948(7) .
Co2 O5 1.949(7) .
Co2 N5 2.064(10) .
Co2 N6 2.098(10) .
Co2 O4 2.273(7) .
Co2 O3 2.288(7) .
Co3 O14 1.973(6) .
Co3 O8 1.976(7) .
Co3 N3 2.106(8) .
Co3 N4 2.107(10) .
Co3 O9 2.218(6) .
Co3 O21 2.250(6) 3_566
O1 C63 1.370(11) .
O1 Gd3 2.413(6) 3_566
O2 C1 1.352(11) .
O2 Gd3 2.465(6) 3_566
O3 C2 1.357(11) .
O4 C26 1.357(11) .
O5 C3 1.342(12) .
O6 C4 1.342(11) .
O7 C13 1.338(12) .
O8 C14 1.359(11) .
O9 C25 1.397(10) .
O10 O11 1.207(18) .
O10 N1 1.279(12) .
O10 O12 1.293(17) 3_566
O10 Gd1 2.647(13) 3_566
O11 N1 1.219(13) .
O11 O12 1.264(17) .
O12 N1 1.262(12) .
O12 O10 1.293(17) 3_566
O13 C15 1.376(11) .
O13 Co1 1.982(7) 3_566
O14 C16 1.345(11) .
O15 N2 1.268(11) .
O16 N2 1.275(11) .
O17 N2 1.189(12) .
O18 N7 1.400(14) .
O19 N7 1.320(13) .
O20 N7 1.340(15) .
O21 C64 1.362(11) .
O21 Co3 2.250(6) 3_566
O21 Gd3 2.404(6) 3_566
O21 Gd2 2.477(6) 3_566
O22 N10 1.469(19) .
O23 N10 1.527(18) .
O24 N10 1.51(2) .
N1 O11 1.219(14) 3_566
N1 O12 1.262(12) 3_566
N1 O10 1.279(11) 3_566
N3 C35 1.073(13) .
N4 C37 1.09(2) .
N5 C47 1.03(4) .
N6 C49 1.13(2) .
N8 C59 1.099(13) .
N9 C61 1.08(2) .
C1 C54 1.351(13) .
C1 C2 1.454(13) .
C2 C51 1.348(14) .
C3 C8 1.370(14) .
C3 C4 1.436(13) .
C4 C5 1.359(13) .
C5 C6 1.408(13) .
C5 H5 0.9500 .
C6 C12 1.426(14) .
C6 C7 1.427(16) .
C7 C8 1.415(15) .
C7 C9 1.420(17) .
C8 H8 0.9500 .
C9 C10 1.367(18) .
C9 H9 0.9500 .
C10 C11 1.41(2) .
C10 H10 0.9500 .
C11 C12 1.375(16) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C42 1.373(15) .
C13 C14 1.422(13) .
C14 C39 1.355(14) .
C15 C20 1.353(14) .
C15 C16 1.425(14) .
C16 C17 1.370(13) .
C17 C18 1.436(14) .
C17 H17 0.9500 .
C18 C24 1.410(17) .
C18 C19 1.418(18) .
C19 C21 1.411(17) .
C19 C20 1.416(17) .
C20 H20 0.9500 .
C21 C22 1.34(2) .
C21 H21 0.9500 .
C22 C23 1.43(3) .
C22 H22 0.9500 .
C23 C24 1.37(2) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C30 1.357(12) .
C25 C26 1.445(12) .
C26 C27 1.343(14) .
C27 C28 1.403(14) .
C27 H27 0.9500 .
C28 C29 1.422(14) .
C28 C34 1.425(15) .
C29 C30 1.385(14) .
C29 C31 1.409(14) .
C30 H30 0.9500 .
C31 C32 1.335(16) .
C31 H31 0.9500 .
C32 C33 1.427(17) .
C32 H32 0.9500 .
C33 C34 1.365(16) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C35 C36 1.48(2) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 C38 1.50(3) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 C40 1.422(15) .
C39 H39 0.9500 .
C40 C46 1.384(16) .
C40 C41 1.430(17) .
C41 C43 1.393(18) .
C41 C42 1.417(17) .
C42 H42 0.9500 .
C43 C44 1.35(2) .
C43 H43 0.9500 .
C44 C45 1.37(2) .
C44 H44 0.9500 .
C45 C46 1.377(18) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 C48 1.59(4) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C50 1.49(3) .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 C52 1.419(14) .
C51 H51 0.9500 .
C52 C53 1.405(15) .
C52 C58 1.417(15) .
C53 C55 1.416(13) .
C53 C54 1.426(15) .
C54 H54 0.9500 .
C55 C56 1.386(16) .
C55 H55 0.9500 .
C56 C57 1.401(18) .
C56 H56 0.9500 .
C57 C58 1.363(16) .
C57 H57 0.9500 .
C58 H58 0.9500 .
C59 C60 1.467(19) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C62 1.60(3) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 C68 1.401(12) .
C63 C64 1.446(13) .
C64 C65 1.359(13) .
C65 C66 1.422(13) .
C65 H65 0.9500 .
C66 C67 1.400(16) .
C66 C72 1.413(15) .
C67 C68 1.395(14) .
C67 C69 1.412(14) .
C68 H68 0.9500 .
C69 C70 1.393(18) .
C69 H69 0.9500 .
C70 C71 1.43(2) .
C70 H70 0.9500 .
C71 C72 1.371(17) .
C71 H71 0.9500 .
C72 H72 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O12 O10 O11 N1 4.5(12) 3_566 .
Gd3 O10 O11 N1 156.9(7) . .
Gd1 O10 O11 N1 -125(2) 3_566 .
N1 O10 O11 O12 4.9(13) . .
O12 O10 O11 O12 9(2) 3_566 .
Gd3 O10 O11 O12 161.8(15) . .
Gd1 O10 O11 O12 -120(2) 3_566 .
N1 O10 O11 Gd3 -156.9(7) . .
O12 O10 O11 Gd3 -152.4(13) 3_566 .
Gd1 O10 O11 Gd3 78(2) 3_566 .
N1 O10 O11 Gd2 128(2) . .
O12 O10 O11 Gd2 132.8(18) 3_566 .
Gd3 O10 O11 Gd2 -75(2) . .
Gd1 O10 O11 Gd2 3(4) 3_566 .
O10 O11 O12 N1 -5.0(13) . .
Gd3 O11 O12 N1 131(2) . .
Gd2 O11 O12 N1 -161.1(7) . .
O10 O11 O12 O10 -9(2) . 3_566
N1 O11 O12 O10 -4.4(11) . 3_566
Gd3 O11 O12 O10 127(2) . 3_566
Gd2 O11 O12 O10 -165.5(14) . 3_566
O10 O11 O12 Gd2 156.1(15) . .
N1 O11 O12 Gd2 161.1(7) . .
Gd3 O11 O12 Gd2 -67(2) . .
O10 O11 O12 Gd1 -119(2) . .
N1 O11 O12 Gd1 -114(2) . .
Gd3 O11 O12 Gd1 18(4) . .
Gd2 O11 O12 Gd1 85(2) . .
O10 O11 N1 O12 175.4(12) . .
Gd3 O11 N1 O12 -152.9(15) . .
Gd2 O11 N1 O12 24.1(9) . .
O10 O11 N1 O12 -4.6(12) . 3_566
O12 O11 N1 O12 180.002(2) . 3_566
Gd3 O11 N1 O12 27.1(15) . 3_566
Gd2 O11 N1 O12 -155.9(9) . 3_566
O10 O11 N1 O10 179.998(3) . 3_566
O12 O11 N1 O10 4.6(12) . 3_566
Gd3 O11 N1 O10 -148.3(9) . 3_566
Gd2 O11 N1 O10 28.7(14) . 3_566
O12 O11 N1 O10 -175.4(12) . .
Gd3 O11 N1 O10 31.7(9) . .
Gd2 O11 N1 O10 -151.3(14) . .
O11 O12 N1 O11 180.003(3) . 3_566
O10 O12 N1 O11 -4.5(12) 3_566 3_566
Gd2 O12 N1 O11 154.0(10) . 3_566
Gd1 O12 N1 O11 -32.3(14) . 3_566
O10 O12 N1 O11 175.5(12) 3_566 .
Gd2 O12 N1 O11 -26.0(10) . .
Gd1 O12 N1 O11 147.7(14) . .
O11 O12 N1 O10 -175.5(12) . 3_566
Gd2 O12 N1 O10 158.5(15) . 3_566
Gd1 O12 N1 O10 -27.9(9) . 3_566
O11 O12 N1 O10 4.5(12) . .
O10 O12 N1 O10 180.002(2) 3_566 .
Gd2 O12 N1 O10 -21.5(15) . .
Gd1 O12 N1 O10 152.1(9) . .
O11 O10 N1 O11 179.996(2) . 3_566
O12 O10 N1 O11 4.6(12) 3_566 3_566
Gd3 O10 N1 O11 149.3(9) . 3_566
Gd1 O10 N1 O11 -25.3(14) 3_566 3_566
O12 O10 N1 O11 -175.4(12) 3_566 .
Gd3 O10 N1 O11 -30.7(9) . .
Gd1 O10 N1 O11 154.7(14) 3_566 .
O11 O10 N1 O12 -4.6(12) . .
O12 O10 N1 O12 179.998(2) 3_566 .
Gd3 O10 N1 O12 -35.3(13) . .
Gd1 O10 N1 O12 150.1(10) 3_566 .
O11 O10 N1 O12 175.4(12) . 3_566
Gd3 O10 N1 O12 144.7(13) . 3_566
Gd1 O10 N1 O12 -29.9(10) 3_566 3_566
Gd3 O15 N2 O17 -178.9(9) . .
Gd3 O15 N2 O16 1.7(9) . .
Gd3 O16 N2 O17 178.9(9) . .
Gd3 O16 N2 O15 -1.8(9) . .
Gd2 O19 N7 O20 -177.5(13) . .
Gd2 O19 N7 O18 6.7(12) . .
Gd2 O18 N7 O19 -6.7(12) . .
Gd2 O18 N7 O20 177.6(13) . .
Gd1 O22 N10 O24 -179(2) . .
Gd1 O22 N10 O23 4.3(17) . .
Gd1 O23 N10 O22 -4.3(17) . .
Gd1 O23 N10 O24 180(3) . .
Co1 O2 C1 C54 53.2(11) . .
Gd1 O2 C1 C54 158.9(7) . .
Gd3 O2 C1 C54 -57.3(11) 3_566 .
Co1 O2 C1 C2 -121.6(7) . .
Gd1 O2 C1 C2 -15.9(9) . .
Gd3 O2 C1 C2 127.9(7) 3_566 .
Co2 O3 C2 C51 -54.1(11) . .
Gd1 O3 C2 C51 -158.7(8) . .
Gd2 O3 C2 C51 57.9(12) . .
Co2 O3 C2 C1 126.7(7) . .
Gd1 O3 C2 C1 22.1(10) . .
Gd2 O3 C2 C1 -121.3(7) . .
C54 C1 C2 C51 1.5(14) . .
O2 C1 C2 C51 176.6(8) . .
C54 C1 C2 O3 -179.3(8) . .
O2 C1 C2 O3 -4.2(12) . .
Co2 O5 C3 C8 51.5(15) . .
Gd1 O5 C3 C8 -171.7(9) . .
Co2 O5 C3 C4 -132.4(8) . .
Gd1 O5 C3 C4 4.4(12) . .
Co1 O6 C4 C5 -31.1(16) . .
Gd1 O6 C4 C5 173.9(8) . .
Co1 O6 C4 C3 149.0(7) . .
Gd1 O6 C4 C3 -6.0(12) . .
O5 C3 C4 O6 1.0(13) . .
C8 C3 C4 O6 177.2(10) . .
O5 C3 C4 C5 -179.0(9) . .
C8 C3 C4 C5 -2.7(16) . .
O6 C4 C5 C6 179.7(10) . .
C3 C4 C5 C6 -0.4(15) . .
C4 C5 C6 C12 -177.9(10) . .
C4 C5 C6 C7 2.9(16) . .
C5 C6 C7 C8 -2.2(17) . .
C12 C6 C7 C8 178.4(11) . .
C5 C6 C7 C9 176.8(12) . .
C12 C6 C7 C9 -2.5(18) . .
O5 C3 C8 C7 179.2(11) . .
C4 C3 C8 C7 3.3(19) . .
C9 C7 C8 C3 -179.8(13) . .
C6 C7 C8 C3 -0.8(19) . .
C8 C7 C9 C10 -180.0(15) . .
C6 C7 C9 C10 1(2) . .
C7 C9 C10 C11 0(3) . .
C9 C10 C11 C12 1(2) . .
C10 C11 C12 C6 -3(2) . .
C5 C6 C12 C11 -175.8(11) . .
C7 C6 C12 C11 3.5(17) . .
Co2 O7 C13 C42 28.1(17) . .
Gd2 O7 C13 C42 -173.7(10) . .
Co2 O7 C13 C14 -150.8(8) . .
Gd2 O7 C13 C14 7.4(13) . .
Co3 O8 C14 C39 -51.7(14) . .
Gd2 O8 C14 C39 172.2(8) . .
Co3 O8 C14 C13 126.8(8) . .
Gd2 O8 C14 C13 -9.3(11) . .
O7 C13 C14 C39 179.9(10) . .
C42 C13 C14 C39 0.9(17) . .
O7 C13 C14 O8 1.4(13) . .
C42 C13 C14 O8 -177.6(10) . .
Co1 O13 C15 C20 40.9(15) 3_566 .
Gd3 O13 C15 C20 -179.4(9) . .
Co1 O13 C15 C16 -138.5(7) 3_566 .
Gd3 O13 C15 C16 1.1(12) . .
Co3 O14 C16 C17 -44.8(15) . .
Gd3 O14 C16 C17 177.7(8) . .
Co3 O14 C16 C15 133.7(8) . .
Gd3 O14 C16 C15 -3.7(12) . .
C20 C15 C16 O14 -177.9(10) . .
O13 C15 C16 O14 1.6(13) . .
C20 C15 C16 C17 0.7(17) . .
O13 C15 C16 C17 -179.8(10) . .
O14 C16 C17 C18 176.6(10) . .
C15 C16 C17 C18 -1.9(17) . .
C16 C17 C18 C24 -177.8(13) . .
C16 C17 C18 C19 0.3(19) . .
C24 C18 C19 C21 3(2) . .
C17 C18 C19 C21 -175.5(15) . .
C24 C18 C19 C20 -179.3(14) . .
C17 C18 C19 C20 2(2) . .
O13 C15 C20 C19 -177.3(11) . .
C16 C15 C20 C19 2.2(18) . .
C21 C19 C20 C15 174.2(15) . .
C18 C19 C20 C15 -4(2) . .
C20 C19 C21 C22 -178(2) . .
C18 C19 C21 C22 0(3) . .
C19 C21 C22 C23 -1(4) . .
C21 C22 C23 C24 -2(4) . .
C22 C23 C24 C18 4(3) . .
C19 C18 C24 C23 -5(3) . .
C17 C18 C24 C23 173.3(17) . .
Co3 O9 C25 C30 51.4(11) . .
Gd2 O9 C25 C30 160.8(7) . .
Gd3 O9 C25 C30 -58.0(10) . .
Co3 O9 C25 C26 -130.1(7) . .
Gd2 O9 C25 C26 -20.7(9) . .
Gd3 O9 C25 C26 120.4(7) . .
Co2 O4 C26 C27 -60.3(12) . .
Gd2 O4 C26 C27 -163.4(8) . .
Gd1 O4 C26 C27 49.2(13) . .
Co2 O4 C26 C25 118.4(7) . .
Gd2 O4 C26 C25 15.2(11) . .
Gd1 O4 C26 C25 -132.1(7) . .
C30 C25 C26 C27 0.5(14) . .
O9 C25 C26 C27 -178.1(8) . .
C30 C25 C26 O4 -178.3(8) . .
O9 C25 C26 O4 3.2(12) . .
O4 C26 C27 C28 177.5(9) . .
C25 C26 C27 C28 -1.2(15) . .
C26 C27 C28 C29 0.3(16) . .
C26 C27 C28 C34 179.2(11) . .
C27 C28 C29 C30 1.3(14) . .
C34 C28 C29 C30 -177.6(10) . .
C27 C28 C29 C31 -179.3(10) . .
C34 C28 C29 C31 1.8(15) . .
O9 C25 C30 C29 179.6(8) . .
C26 C25 C30 C29 1.2(14) . .
C31 C29 C30 C25 178.6(9) . .
C28 C29 C30 C25 -2.1(14) . .
C30 C29 C31 C32 179.3(10) . .
C28 C29 C31 C32 0.0(16) . .
C29 C31 C32 C33 -1.0(16) . .
C31 C32 C33 C34 0.4(17) . .
C32 C33 C34 C28 1.4(18) . .
C27 C28 C34 C33 178.7(11) . .
C29 C28 C34 C33 -2.4(17) . .
O8 C14 C39 C40 -179.5(10) . .
C13 C14 C39 C40 2.1(17) . .
C14 C39 C40 C46 177.4(13) . .
C14 C39 C40 C41 -3.8(19) . .
C46 C40 C41 C43 1(2) . .
C39 C40 C41 C43 -177.5(15) . .
C46 C40 C41 C42 -178.6(15) . .
C39 C40 C41 C42 2(2) . .
O7 C13 C42 C41 178.9(13) . .
C14 C13 C42 C41 -2(2) . .
C43 C41 C42 C13 -179.5(17) . .
C40 C41 C42 C13 0(2) . .
C42 C41 C43 C44 177(2) . .
C40 C41 C43 C44 -3(3) . .
C41 C43 C44 C45 3(3) . .
C43 C44 C45 C46 -2(3) . .
C44 C45 C46 C40 1(3) . .
C39 C40 C46 C45 178.4(15) . .
C41 C40 C46 C45 0(2) . .
O3 C2 C51 C52 179.8(9) . .
C1 C2 C51 C52 -1.0(15) . .
C2 C51 C52 C53 0.1(15) . .
C2 C51 C52 C58 178.5(10) . .
C58 C52 C53 C55 3.5(14) . .
C51 C52 C53 C55 -178.1(9) . .
C58 C52 C53 C54 -178.1(9) . .
C51 C52 C53 C54 0.4(14) . .
O2 C1 C54 C53 -175.7(8) . .
C2 C1 C54 C53 -1.0(13) . .
C52 C53 C54 C1 0.1(14) . .
C55 C53 C54 C1 178.6(9) . .
C52 C53 C55 C56 -3.2(15) . .
C54 C53 C55 C56 178.3(9) . .
C53 C55 C56 C57 1.9(15) . .
C55 C56 C57 C58 -0.9(16) . .
C56 C57 C58 C52 1.2(16) . .
C53 C52 C58 C57 -2.5(15) . .
C51 C52 C58 C57 179.1(10) . .
Co1 N9 C61 C62 -13(18) . .
Co1 O1 C63 C68 52.6(11) . .
Gd3 O1 C63 C68 160.6(7) 3_566 .
Gd1 O1 C63 C68 -62.1(10) . .
Co1 O1 C63 C64 -127.5(7) . .
Gd3 O1 C63 C64 -19.5(9) 3_566 .
Gd1 O1 C63 C64 117.8(7) . .
Co3 O21 C64 C65 -60.5(10) 3_566 .
Gd3 O21 C64 C65 -165.2(7) 3_566 .
Gd2 O21 C64 C65 49.6(11) 3_566 .
Co3 O21 C64 C63 118.8(7) 3_566 .
Gd3 O21 C64 C63 14.1(9) 3_566 .
Gd2 O21 C64 C63 -131.1(6) 3_566 .
O1 C63 C64 C65 -176.9(8) . .
C68 C63 C64 C65 3.0(13) . .
O1 C63 C64 O21 3.7(11) . .
C68 C63 C64 O21 -176.3(8) . .
O21 C64 C65 C66 178.7(8) . .
C63 C64 C65 C66 -0.5(13) . .
C64 C65 C66 C67 -2.6(14) . .
C64 C65 C66 C72 178.7(9) . .
C72 C66 C67 C68 -177.9(10) . .
C65 C66 C67 C68 3.4(14) . .
C72 C66 C67 C69 1.4(15) . .
C65 C66 C67 C69 -177.4(10) . .
C66 C67 C68 C63 -1.0(15) . .
C69 C67 C68 C63 179.8(10) . .
O1 C63 C68 C67 177.7(9) . .
C64 C63 C68 C67 -2.2(14) . .
C68 C67 C69 C70 179.8(11) . .
C66 C67 C69 C70 0.6(16) . .
C67 C69 C70 C71 -1.8(18) . .
C69 C70 C71 C72 1.0(17) . .
C70 C71 C72 C66 0.9(16) . .
C67 C66 C72 C71 -2.1(15) . .
C65 C66 C72 C71 176.6(10) . .
