#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:36:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179903 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/99/7019994.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_7019994
loop_
_publ_author_name
'Tan, Bin'
'Xie, Zai-Lai'
'Feng, Mei-Ling'
'Hu, Bing'
'Wu, Zhao-Feng'
'Huang, Xiao-Ying'
_publ_section_title
;
 Ionothermal syntheses, crystal structures and properties of
 three-dimensional rare earth metal-organic frameworks with
 1,4-naphthalenedicarboxylic acid.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10576
_journal_page_last               10584
_journal_paper_doi               10.1039/c2dt30944k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C36 H18 Cl O12 Gd2, C10 H19 N2'
_chemical_formula_sum            'C46 H37 Cl Gd2 N2 O12'
_chemical_formula_weight         1159.73
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 94.7447(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.7374(3)
_cell_length_b                   14.7992(3)
_cell_length_c                   15.9201(3)
_cell_measurement_reflns_used    13652
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8671
_cell_measurement_theta_min      2.5383
_cell_volume                     4164.69(14)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0162
_diffrn_reflns_av_sigmaI/netI    0.0198
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18150
_diffrn_reflns_theta_full        26.55
_diffrn_reflns_theta_max         26.55
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    3.290
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.850
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.447
_refine_diff_density_min         -1.180
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         8650
_refine_ls_number_restraints     951
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0247
_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)+(0.0364P)²+6.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0656
_refine_ls_wR_factor_ref         0.0679
_reflns_number_gt                7374
_reflns_number_total             8650
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30944k.txt
_cod_data_source_block           compound-7
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7019994
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.378316(8) 0.024717(10) -0.004639(9) 0.01385(5) Uani 1 1 d . . .
Gd2 Gd 0.116458(8) 0.011929(11) -0.001180(9) 0.01454(5) Uani 1 1 d . . .
Cl1 Cl 0.25214(5) -0.08359(6) 0.02419(6) 0.0302(2) Uani 1 1 d . . .
O1 O 0.44968(15) 0.1243(2) -0.07737(18) 0.0377(7) Uani 1 1 d . . .
O2 O 0.57452(15) 0.1066(2) -0.06429(19) 0.0386(7) Uani 1 1 d . . .
O3 O 0.31538(15) 0.1297(2) 0.07397(18) 0.0395(7) Uani 1 1 d . . .
O5 O 0.47129(16) 0.4292(2) -0.40174(18) 0.0434(8) Uani 1 1 d . . .
O4 O 0.19317(14) 0.13442(18) 0.03118(17) 0.0313(6) Uani 1 1 d . . .
O6 O 0.59588(16) 0.4314(2) -0.38331(17) 0.0398(7) Uani 1 1 d . . .
O7 O 0.28888(14) 0.4299(2) 0.39017(15) 0.0320(6) Uani 1 1 d . . .
O8 O 0.16506(13) 0.45361(19) 0.36867(14) 0.0267(6) Uani 1 1 d . . .
O9 O 0.06179(14) 0.08915(19) 0.11054(16) 0.0324(6) Uani 1 1 d . . .
O10 O -0.06371(15) 0.10142(19) 0.08769(16) 0.0328(6) Uani 1 1 d . . .
O11 O 0.01549(15) 0.4114(2) 0.43510(16) 0.0336(6) Uani 1 1 d . . .
O12 O -0.10481(15) 0.4039(2) 0.39108(18) 0.0391(7) Uani 1 1 d . . .
C1 C 0.5148(2) 0.1440(3) -0.0942(2) 0.0258(8) Uani 1 1 d . . .
C2 C 0.52216(19) 0.2176(2) -0.1585(2) 0.0234(7) Uani 1 1 d . . .
C3 C 0.4713(2) 0.2159(3) -0.2290(2) 0.0313(9) Uani 1 1 d . . .
H3A H 0.4338 0.1718 -0.2340 0.038 Uiso 1 1 calc R . .
C4 C 0.4757(2) 0.2801(3) -0.2932(2) 0.0313(9) Uani 1 1 d . . .
H4A H 0.4414 0.2773 -0.3406 0.038 Uiso 1 1 calc R . .
C5 C 0.52903(19) 0.3465(3) -0.2877(2) 0.0240(8) Uani 1 1 d . . .
C6 C 0.58104(18) 0.3534(2) -0.2143(2) 0.0223(7) Uani 1 1 d . . .
C7 C 0.57807(19) 0.2870(3) -0.1495(2) 0.0225(7) Uani 1 1 d . . .
C8 C 0.6299(2) 0.2941(3) -0.0766(2) 0.0327(9) Uani 1 1 d . . .
H8A H 0.6301 0.2503 -0.0347 0.039 Uiso 1 1 calc R . .
C9 C 0.6792(2) 0.3648(3) -0.0679(3) 0.0401(10) Uani 1 1 d . . .
H9A H 0.7122 0.3691 -0.0196 0.048 Uiso 1 1 calc R . .
C10 C 0.6812(2) 0.4304(3) -0.1299(3) 0.0372(10) Uani 1 1 d . . .
H10A H 0.7152 0.4781 -0.1224 0.045 Uiso 1 1 calc R . .
C11 C 0.6337(2) 0.4258(3) -0.2019(2) 0.0306(8) Uani 1 1 d . . .
H11A H 0.6358 0.4701 -0.2430 0.037 Uiso 1 1 calc R . .
C12 C 0.5322(2) 0.4075(3) -0.3630(2) 0.0281(8) Uani 1 1 d . . .
C13 C 0.2499(2) 0.1618(3) 0.0769(2) 0.0263(8) Uani 1 1 d . . .
C14 C 0.23958(19) 0.2336(3) 0.1410(2) 0.0256(8) Uani 1 1 d . . .
C15 C 0.2830(2) 0.2261(3) 0.2164(2) 0.0349(10) Uani 1 1 d . . .
H15A H 0.3175 0.1788 0.2238 0.042 Uiso 1 1 calc R . .
C16 C 0.2767(2) 0.2870(3) 0.2815(2) 0.0338(9) Uani 1 1 d . . .
H16A H 0.3077 0.2802 0.3312 0.041 Uiso 1 1 calc R . .
C17 C 0.22597(18) 0.3569(2) 0.2747(2) 0.0216(7) Uani 1 1 d . . .
C18 C 0.17894(18) 0.3679(2) 0.1971(2) 0.0186(7) Uani 1 1 d . . .
C19 C 0.18690(18) 0.3064(2) 0.1297(2) 0.0212(7) Uani 1 1 d . . .
C20 C 0.1434(2) 0.3220(3) 0.0516(2) 0.0317(9) Uani 1 1 d . . .
H20A H 0.1488 0.2836 0.0062 0.038 Uiso 1 1 calc R . .
C21 C 0.0943(2) 0.3922(3) 0.0428(2) 0.0361(10) Uani 1 1 d . . .
H21A H 0.0662 0.4012 -0.0085 0.043 Uiso 1 1 calc R . .
C22 C 0.0853(2) 0.4509(3) 0.1094(2) 0.0341(9) Uani 1 1 d . . .
H22A H 0.0513 0.4986 0.1022 0.041 Uiso 1 1 calc R . .
C23 C 0.1258(2) 0.4392(3) 0.1851(2) 0.0257(8) Uani 1 1 d . . .
H23A H 0.1185 0.4784 0.2294 0.031 Uiso 1 1 calc R . .
C24 C 0.22604(19) 0.4189(2) 0.3501(2) 0.0216(7) Uani 1 1 d . . .
C25 C 0.0003(2) 0.1263(3) 0.1211(2) 0.0253(8) Uani 1 1 d . . .
C26 C -0.0009(2) 0.2044(3) 0.1809(2) 0.0250(8) Uani 1 1 d . . .
C27 C 0.0393(2) 0.1970(3) 0.2574(2) 0.0326(9) Uani 1 1 d . . .
H27A H 0.0730 0.1492 0.2673 0.039 Uiso 1 1 calc R . .
C28 C 0.0308(2) 0.2603(3) 0.3215(2) 0.0333(9) Uani 1 1 d . . .
H28A H 0.0589 0.2541 0.3731 0.040 Uiso 1 1 calc R . .
C29 C -0.0185(2) 0.3311(3) 0.3088(2) 0.0261(8) Uani 1 1 d . . .
C30 C -0.0553(2) 0.3467(3) 0.2268(2) 0.0260(8) Uani 1 1 d . . .
C31 C -0.04630(19) 0.2821(3) 0.1623(2) 0.0242(7) Uani 1 1 d . . .
C32 C -0.0810(2) 0.2994(3) 0.0799(2) 0.0371(10) Uani 1 1 d . . .
H32A H -0.0765 0.2576 0.0371 0.045 Uiso 1 1 calc R . .
C33 C -0.1207(3) 0.3773(4) 0.0639(3) 0.0494(12) Uani 1 1 d . . .
H33A H -0.1427 0.3882 0.0098 0.059 Uiso 1 1 calc R . .
C34 C -0.1288(3) 0.4406(3) 0.1267(3) 0.0478(11) Uani 1 1 d . . .
H34A H -0.1554 0.4936 0.1139 0.057 Uiso 1 1 calc R . .
C35 C -0.0982(2) 0.4262(3) 0.2072(3) 0.0381(10) Uani 1 1 d . . .
H35A H -0.1054 0.4684 0.2491 0.046 Uiso 1 1 calc R . .
C36 C -0.0366(2) 0.3866(3) 0.3825(2) 0.0281(8) Uani 1 1 d . . .
N1A N 0.2345(4) -0.2684(4) 0.2711(4) 0.0580(11) Uani 0.644(4) 1 d PDU A 1
N2A N 0.3025(4) -0.1495(5) 0.2698(4) 0.0638(11) Uani 0.644(4) 1 d PDU A 1
C37A C 0.2845(4) -0.2683(7) 0.3408(5) 0.0652(12) Uani 0.644(4) 1 d PDU A 1
H37A H 0.2882 -0.3129 0.3822 0.078 Uiso 0.644(4) 1 calc PR A 1
C38A C 0.3246(5) -0.1986(6) 0.3404(5) 0.0672(12) Uani 0.644(4) 1 d PDU A 1
H38A H 0.3629 -0.1830 0.3812 0.081 Uiso 0.644(4) 1 calc PR A 1
C39A C 0.2469(4) -0.1940(5) 0.2280(4) 0.0614(11) Uani 0.644(4) 1 d PDU A 1
H39A H 0.2210 -0.1763 0.1775 0.074 Uiso 0.644(4) 1 calc PR A 1
C40A C 0.1794(5) -0.3376(6) 0.2499(6) 0.0730(18) Uani 0.644(4) 1 d PDU A 1
H40A H 0.1516 -0.3228 0.1974 0.109 Uiso 0.644(4) 1 calc PR A 1
H40B H 0.1453 -0.3418 0.2934 0.109 Uiso 0.644(4) 1 calc PR A 1
H40C H 0.2046 -0.3945 0.2446 0.109 Uiso 0.644(4) 1 calc PR A 1
C41A C 0.3310(5) -0.0613(6) 0.2391(6) 0.0764(12) Uani 0.644(4) 1 d PDU A 1
H41A H 0.2873 -0.0230 0.2252 0.092 Uiso 0.644(4) 1 calc PR A 1
H41B H 0.3538 -0.0731 0.1868 0.092 Uiso 0.644(4) 1 calc PR A 1
C43A C 0.3426(6) 0.0374(8) 0.3685(7) 0.0920(14) Uani 0.644(4) 1 d PDU A 1
H43A H 0.3039 0.0800 0.3476 0.110 Uiso 0.644(4) 1 calc PR A 1
H43B H 0.3216 -0.0069 0.4050 0.110 Uiso 0.644(4) 1 calc PR A 1
C42A C 0.3871(6) -0.0073(7) 0.2951(6) 0.0830(13) Uani 0.644(4) 1 d PDU A 1
H42A H 0.4097 0.0395 0.2626 0.100 Uiso 0.644(4) 1 calc PR A 1
H42B H 0.4271 -0.0464 0.3193 0.100 Uiso 0.644(4) 1 calc PR A 1
C44A C 0.4169(6) 0.0850(8) 0.4104(6) 0.1018(15) Uani 0.644(4) 1 d PDU A 1
H44A H 0.4595 0.0497 0.3943 0.122 Uiso 0.644(4) 1 calc PR A 1
H44B H 0.4202 0.1435 0.3835 0.122 Uiso 0.644(4) 1 calc PR A 1
C45A C 0.4298(7) 0.1012(9) 0.5072(6) 0.1108(19) Uani 0.644(4) 1 d PDU A 1
H45A H 0.4364 0.0440 0.5367 0.133 Uiso 0.644(4) 1 calc PR A 1
H45B H 0.4747 0.1377 0.5201 0.133 Uiso 0.644(4) 1 calc PR A 1
C46A C 0.3599(8) 0.1501(10) 0.5338(9) 0.139(3) Uani 0.644(4) 1 d PDU A 1
H46A H 0.3673 0.1654 0.5925 0.208 Uiso 0.644(4) 1 calc PR A 1
H46B H 0.3166 0.1114 0.5245 0.208 Uiso 0.644(4) 1 calc PR A 1
H46C H 0.3519 0.2043 0.5011 0.208 Uiso 0.644(4) 1 calc PR A 1
N1B N 0.2072(6) -0.2812(6) 0.2286(7) 0.0580(11) Uani 0.356(4) 1 d PDU A 2
N2B N 0.2902(6) -0.2075(7) 0.2941(7) 0.0638(11) Uani 0.356(4) 1 d PDU A 2
C37B C 0.2173(8) -0.3202(10) 0.3061(7) 0.0652(12) Uani 0.356(4) 1 d PDU A 2
H37B H 0.1921 -0.3700 0.3259 0.078 Uiso 0.356(4) 1 calc PR A 2
C38B C 0.2681(8) -0.2740(10) 0.3448(10) 0.0672(12) Uani 0.356(4) 1 d PDU A 2
H38B H 0.2876 -0.2839 0.4000 0.081 Uiso 0.356(4) 1 calc PR A 2
C39B C 0.2534(6) -0.2098(8) 0.2215(7) 0.0614(11) Uani 0.356(4) 1 d PDU A 2
H39B H 0.2574 -0.1718 0.1756 0.074 Uiso 0.356(4) 1 calc PR A 2
C40B C 0.1525(8) -0.3148(11) 0.1630(8) 0.0730(18) Uani 0.356(4) 1 d PDU A 2
H40D H 0.1537 -0.2777 0.1137 0.109 Uiso 0.356(4) 1 calc PR A 2
H40E H 0.1028 -0.3128 0.1826 0.109 Uiso 0.356(4) 1 calc PR A 2
H40F H 0.1648 -0.3759 0.1495 0.109 Uiso 0.356(4) 1 calc PR A 2
C41B C 0.3495(7) -0.1462(9) 0.3280(9) 0.0764(12) Uani 0.356(4) 1 d PDU A 2
H41C H 0.3958 -0.1785 0.3452 0.092 Uiso 0.356(4) 1 calc PR A 2
H41D H 0.3337 -0.1119 0.3754 0.092 Uiso 0.356(4) 1 calc PR A 2
C42B C 0.3592(12) -0.0859(10) 0.2528(9) 0.0830(13) Uani 0.356(4) 1 d PDU A 2
H42C H 0.3262 -0.1025 0.2036 0.100 Uiso 0.356(4) 1 calc PR A 2
H42D H 0.4112 -0.0822 0.2387 0.100 Uiso 0.356(4) 1 calc PR A 2
C43B C 0.3328(11) -0.0005(12) 0.2968(11) 0.0920(14) Uani 0.356(4) 1 d PDU A 2
H43C H 0.2806 -0.0088 0.3092 0.110 Uiso 0.356(4) 1 calc PR A 2
H43D H 0.3342 0.0500 0.2581 0.110 Uiso 0.356(4) 1 calc PR A 2
C44B C 0.3820(12) 0.0245(14) 0.3819(12) 0.1018(15) Uani 0.356(4) 1 d PDU A 2
H44C H 0.3873 -0.0291 0.4170 0.122 Uiso 0.356(4) 1 calc PR A 2
H44D H 0.4322 0.0422 0.3683 0.122 Uiso 0.356(4) 1 calc PR A 2
C45B C 0.3483(11) 0.1008(14) 0.4323(12) 0.1108(19) Uani 0.356(4) 1 d PDU A 2
H45C H 0.3223 0.1428 0.3932 0.133 Uiso 0.356(4) 1 calc PR A 2
H45D H 0.3110 0.0751 0.4667 0.133 Uiso 0.356(4) 1 calc PR A 2
C46B C 0.4055(15) 0.1522(16) 0.4885(15) 0.139(3) Uani 0.356(4) 1 d PDU A 2
H46D H 0.4436 0.1764 0.4554 0.208 Uiso 0.356(4) 1 calc PR A 2
H46E H 0.4287 0.1123 0.5307 0.208 Uiso 0.356(4) 1 calc PR A 2
H46F H 0.3808 0.2007 0.5154 0.208 Uiso 0.356(4) 1 calc PR A 2
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'
Cl Cl 0.1484 0.1585 '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
O7 Gd1 O1 79.82(9) 4_565 .
O7 Gd1 O5 146.01(11) 4_565 4_566
O1 Gd1 O5 77.33(11) . 4_566
O7 Gd1 O6 77.52(10) 4_565 2_644
O1 Gd1 O6 81.05(11) . 2_644
O5 Gd1 O6 122.64(10) 4_566 2_644
O7 Gd1 O3 82.24(10) 4_565 .
O1 Gd1 O3 98.61(12) . .
O5 Gd1 O3 76.73(10) 4_566 .
O6 Gd1 O3 159.51(10) 2_644 .
O7 Gd1 O2 140.84(10) 4_565 3_655
O1 Gd1 O2 124.86(10) . 3_655
O5 Gd1 O2 73.12(11) 4_566 3_655
O6 Gd1 O2 77.45(11) 2_644 3_655
O3 Gd1 O2 117.84(11) . 3_655
O7 Gd1 Cl1 77.09(7) 4_565 .
O1 Gd1 Cl1 156.52(7) . .
O5 Gd1 Cl1 125.25(9) 4_566 .
O6 Gd1 Cl1 89.80(8) 2_644 .
O3 Gd1 Cl1 82.53(8) . .
O2 Gd1 Cl1 73.20(7) 3_655 .
O11 Gd2 O4 97.78(10) 4_565 .
O11 Gd2 O10 80.36(10) 4_565 3
O4 Gd2 O10 154.95(10) . 3
O11 Gd2 O8 80.39(9) 4_565 4_565
O4 Gd2 O8 76.96(9) . 4_565
O10 Gd2 O8 78.11(9) 3 4_565
O11 Gd2 O9 75.01(9) 4_565 .
O4 Gd2 O9 74.03(9) . .
O10 Gd2 O9 128.35(9) 3 .
O8 Gd2 O9 138.57(10) 4_565 .
O11 Gd2 O12 123.00(9) 4_565 2_545
O4 Gd2 O12 116.60(10) . 2_545
O10 Gd2 O12 84.07(11) 3 2_545
O8 Gd2 O12 147.71(10) 4_565 2_545
O9 Gd2 O12 73.09(10) . 2_545
O11 Gd2 Cl1 161.84(7) 4_565 .
O4 Gd2 Cl1 83.09(7) . .
O10 Gd2 Cl1 91.16(7) 3 .
O8 Gd2 Cl1 82.16(7) 4_565 .
O9 Gd2 Cl1 122.23(7) . .
O12 Gd2 Cl1 71.42(7) 2_545 .
Gd2 Cl1 Gd1 112.01(3) . .
C1 O1 Gd1 144.5(2) . .
C1 O2 Gd1 143.1(2) . 3_655
C13 O3 Gd1 138.9(2) . .
C12 O5 Gd1 164.2(3) . 4_565
C13 O4 Gd2 144.4(3) . .
C12 O6 Gd1 127.1(2) . 2_654
C24 O7 Gd1 160.0(2) . 4_566
C24 O8 Gd2 132.7(2) . 4_566
C25 O9 Gd2 136.6(2) . .
C25 O10 Gd2 139.7(2) . 3
C36 O11 Gd2 162.2(3) . 4_566
C36 O12 Gd2 111.0(2) . 2
O1 C1 O2 125.9(3) . .
O1 C1 C2 116.8(3) . .
O2 C1 C2 117.4(3) . .
C3 C2 C7 119.7(3) . .
C3 C2 C1 116.9(3) . .
C7 C2 C1 123.4(3) . .
C2 C3 C4 120.5(3) . .
C2 C3 H3A 119.7 . .
C4 C3 H3A 119.7 . .
C5 C4 C3 121.5(3) . .
C5 C4 H4A 119.2 . .
C3 C4 H4A 119.2 . .
C4 C5 C6 120.0(3) . .
C4 C5 C12 117.0(3) . .
C6 C5 C12 122.9(3) . .
C11 C6 C7 118.7(3) . .
C11 C6 C5 122.5(3) . .
C7 C6 C5 118.8(3) . .
C8 C7 C6 118.6(3) . .
C8 C7 C2 122.1(3) . .
C6 C7 C2 119.3(3) . .
C9 C8 C7 120.3(4) . .
C9 C8 H8A 119.8 . .
C7 C8 H8A 119.8 . .
C8 C9 C10 121.2(4) . .
C8 C9 H9A 119.4 . .
C10 C9 H9A 119.4 . .
C11 C10 C9 120.8(4) . .
C11 C10 H10A 119.6 . .
C9 C10 H10A 119.6 . .
C10 C11 C6 120.3(4) . .
C10 C11 H11A 119.8 . .
C6 C11 H11A 119.8 . .
O5 C12 O6 124.5(3) . .
O5 C12 C5 117.6(3) . .
O6 C12 C5 118.0(3) . .
O3 C13 O4 123.5(3) . .
O3 C13 C14 117.3(3) . .
O4 C13 C14 119.1(3) . .
C15 C14 C19 119.0(3) . .
C15 C14 C13 116.5(3) . .
C19 C14 C13 124.5(3) . .
C14 C15 C16 121.7(4) . .
C14 C15 H15A 119.1 . .
C16 C15 H15A 119.1 . .
C17 C16 C15 121.7(3) . .
C17 C16 H16A 119.1 . .
C15 C16 H16A 119.1 . .
C16 C17 C18 118.9(3) . .
C16 C17 C24 116.0(3) . .
C18 C17 C24 125.1(3) . .
C23 C18 C19 118.7(3) . .
C23 C18 C17 122.1(3) . .
C19 C18 C17 119.2(3) . .
C18 C19 C14 119.5(3) . .
C18 C19 C20 118.3(3) . .
C14 C19 C20 122.2(3) . .
C21 C20 C19 120.7(3) . .
C21 C20 H20A 119.7 . .
C19 C20 H20A 119.7 . .
C20 C21 C22 120.9(3) . .
C20 C21 H21A 119.6 . .
C22 C21 H21A 119.6 . .
C23 C22 C21 120.7(4) . .
C23 C22 H22A 119.6 . .
C21 C22 H22A 119.6 . .
C22 C23 C18 120.7(3) . .
C22 C23 H23A 119.7 . .
C18 C23 H23A 119.7 . .
O7 C24 O8 125.2(3) . .
O7 C24 C17 115.3(3) . .
O8 C24 C17 119.5(3) . .
O9 C25 O10 125.5(3) . .
O9 C25 C26 119.0(3) . .
O10 C25 C26 115.5(3) . .
C27 C26 C31 119.7(3) . .
C27 C26 C25 118.2(4) . .
C31 C26 C25 122.0(3) . .
C26 C27 C28 121.1(4) . .
C26 C27 H27A 119.4 . .
C28 C27 H27A 119.4 . .
C29 C28 C27 120.6(3) . .
C29 C28 H28A 119.7 . .
C27 C28 H28A 119.7 . .
C28 C29 C30 119.8(3) . .
C28 C29 C36 118.8(3) . .
C30 C29 C36 121.3(4) . .
C31 C30 C35 119.2(3) . .
C31 C30 C29 118.8(3) . .
C35 C30 C29 122.0(3) . .
C30 C31 C26 119.4(3) . .
C30 C31 C32 118.6(4) . .
C26 C31 C32 122.0(3) . .
C33 C32 C31 120.1(4) . .
C33 C32 H32A 120.0 . .
C31 C32 H32A 120.0 . .
C32 C33 C34 121.2(4) . .
C32 C33 H33A 119.4 . .
C34 C33 H33A 119.4 . .
C35 C34 C33 121.0(4) . .
C35 C34 H34A 119.5 . .
C33 C34 H34A 119.5 . .
C34 C35 C30 119.9(4) . .
C34 C35 H35A 120.1 . .
C30 C35 H35A 120.1 . .
O11 C36 O12 122.3(3) . .
O11 C36 C29 119.6(3) . .
O12 C36 C29 118.1(3) . .
C39A N1A C37A 107.3(8) . .
C39A N1A C40A 127.5(8) . .
C37A N1A C40A 125.2(7) . .
C39A N2A C38A 107.5(8) . .
C39A N2A C41A 122.0(6) . .
C38A N2A C41A 130.6(8) . .
C38A C37A N1A 109.1(9) . .
C38A C37A H37A 125.4 . .
N1A C37A H37A 125.4 . .
C37A C38A N2A 108.5(9) . .
C37A C38A H38A 125.8 . .
N2A C38A H38A 125.8 . .
N2A C39A N1A 107.6(7) . .
N2A C39A H39A 126.2 . .
N1A C39A H39A 126.2 . .
N1A C40A H40A 109.5 . .
N1A C40A H40B 109.5 . .
H40A C40A H40B 109.5 . .
N1A C40A H40C 109.5 . .
H40A C40A H40C 109.5 . .
H40B C40A H40C 109.5 . .
N2A C41A C42A 119.5(8) . .
N2A C41A H41A 107.4 . .
C42A C41A H41A 107.4 . .
N2A C41A H41B 107.4 . .
C42A C41A H41B 107.4 . .
H41A C41A H41B 107.0 . .
C44A C43A C42A 92.6(7) . .
C44A C43A H43A 113.2 . .
C42A C43A H43A 113.2 . .
C44A C43A H43B 113.2 . .
C42A C43A H43B 113.2 . .
H43A C43A H43B 110.5 . .
C41A C42A C43A 107.9(8) . .
C41A C42A H42A 110.1 . .
C43A C42A H42A 110.1 . .
C41A C42A H42B 110.1 . .
C43A C42A H42B 110.1 . .
H42A C42A H42B 108.4 . .
C45A C44A C43A 122.1(9) . .
C45A C44A H44A 106.8 . .
C43A C44A H44A 106.8 . .
C45A C44A H44B 106.8 . .
C43A C44A H44B 106.8 . .
H44A C44A H44B 106.7 . .
C46A C45A C44A 107.0(8) . .
C46A C45A H45A 110.3 . .
C44A C45A H45A 110.3 . .
C46A C45A H45B 110.3 . .
C44A C45A H45B 110.3 . .
H45A C45A H45B 108.6 . .
C45A C46A H46A 109.5 . .
C45A C46A H46B 109.5 . .
H46A C46A H46B 109.5 . .
C45A C46A H46C 109.5 . .
H46A C46A H46C 109.5 . .
H46B C46A H46C 109.5 . .
C39B N1B C37B 111.9(13) . .
C39B N1B C40B 125.6(12) . .
C37B N1B C40B 122.5(10) . .
C39B N2B C38B 111.6(10) . .
C39B N2B C41B 130.5(10) . .
C38B N2B C41B 117.9(11) . .
C38B C37B N1B 104.5(14) . .
C38B C37B H37B 127.8 . .
N1B C37B H37B 127.8 . .
C37B C38B N2B 109.7(14) . .
C37B C38B H38B 125.2 . .
N2B C38B H38B 125.2 . .
N2B C39B N1B 102.4(10) . .
N2B C39B H39B 128.8 . .
N1B C39B H39B 128.8 . .
N1B C40B H40D 109.5 . .
N1B C40B H40E 109.5 . .
H40D C40B H40E 109.5 . .
N1B C40B H40F 109.5 . .
H40D C40B H40F 109.5 . .
H40E C40B H40F 109.5 . .
N2B C41B C42B 101.5(12) . .
N2B C41B H41C 111.5 . .
C42B C41B H41C 111.5 . .
N2B C41B H41D 111.5 . .
C42B C41B H41D 111.5 . .
H41C C41B H41D 109.3 . .
C41B C42B C43B 93.8(12) . .
C41B C42B H42C 113.0 . .
C43B C42B H42C 113.0 . .
C41B C42B H42D 113.0 . .
C43B C42B H42D 113.0 . .
H42C C42B H42D 110.4 . .
C42B C43B C44B 114.3(12) . .
C42B C43B H43C 108.7 . .
C44B C43B H43C 108.7 . .
C42B C43B H43D 108.7 . .
C44B C43B H43D 108.7 . .
H43C C43B H43D 107.6 . .
C45B C44B C43B 114.0(12) . .
C45B C44B H44C 108.8 . .
C43B C44B H44C 108.8 . .
C45B C44B H44D 108.8 . .
C43B C44B H44D 108.8 . .
H44C C44B H44D 107.7 . .
C46B C45B C44B 114.3(11) . .
C46B C45B H45C 108.7 . .
C44B C45B H45C 108.7 . .
C46B C45B H45D 108.7 . .
C44B C45B H45D 108.7 . .
H45C C45B H45D 107.6 . .
C45B C46B H46D 109.5 . .
C45B C46B H46E 109.5 . .
H46D C46B H46E 109.5 . .
C45B C46B H46F 109.5 . .
H46D C46B H46F 109.5 . .
H46E C46B H46F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O7 2.309(2) 4_565
Gd1 O1 2.315(3) .
Gd1 O5 2.328(2) 4_566
Gd1 O6 2.331(3) 2_644
Gd1 O3 2.336(3) .
Gd1 O2 2.351(3) 3_655
Gd1 Cl1 2.8211(9) .
Gd2 O11 2.286(2) 4_565
Gd2 O4 2.299(2) .
Gd2 O10 2.318(2) 3
Gd2 O8 2.365(2) 4_565
Gd2 O9 2.386(2) .
Gd2 O12 2.394(3) 2_545
Gd2 Cl1 2.7914(9) .
O1 C1 1.242(4) .
O2 C1 1.253(4) .
O2 Gd1 2.351(3) 3_655
O3 C13 1.260(4) .
O5 C12 1.241(4) .
O5 Gd1 2.328(2) 4_565
O4 C13 1.259(4) .
O6 C12 1.251(5) .
O6 Gd1 2.331(3) 2_654
O7 C24 1.248(4) .
O7 Gd1 2.309(2) 4_566
O8 C24 1.255(4) .
O8 Gd2 2.365(2) 4_566
O9 C25 1.245(4) .
O10 C25 1.267(4) .
O10 Gd2 2.318(2) 3
O11 C36 1.250(4) .
O11 Gd2 2.286(2) 4_566
O12 C36 1.255(4) .
O12 Gd2 2.394(3) 2
C1 C2 1.506(5) .
C2 C3 1.382(5) .
C2 C7 1.427(5) .
C3 C4 1.402(5) .
C3 H3A 0.9300 .
C4 C5 1.361(5) .
C4 H4A 0.9300 .
C5 C6 1.432(5) .
C5 C12 1.505(5) .
C6 C11 1.425(5) .
C6 C7 1.428(5) .
C7 C8 1.423(5) .
C8 C9 1.364(6) .
C8 H8A 0.9300 .
C9 C10 1.386(6) .
C9 H9A 0.9300 .
C10 C11 1.367(5) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C13 C14 1.495(5) .
C14 C15 1.376(5) .
C14 C19 1.428(5) .
C15 C16 1.386(5) .
C15 H15A 0.9300 .
C16 C17 1.370(5) .
C16 H16A 0.9300 .
C17 C18 1.441(4) .
C17 C24 1.510(5) .
C18 C23 1.416(5) .
C18 C19 1.424(4) .
C19 C20 1.427(5) .
C20 C21 1.355(6) .
C20 H20A 0.9300 .
C21 C22 1.390(6) .
C21 H21A 0.9300 .
C22 C23 1.363(5) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
C25 C26 1.499(5) .
C26 C27 1.365(5) .
C26 C31 1.421(5) .
C27 C28 1.402(5) .
C27 H27A 0.9300 .
C28 C29 1.370(5) .
C28 H28A 0.9300 .
C29 C30 1.428(5) .
C29 C36 1.490(5) .
C30 C31 1.421(5) .
C30 C35 1.423(6) .
C31 C32 1.426(5) .
C32 C33 1.364(6) .
C32 H32A 0.9300 .
C33 C34 1.386(7) .
C33 H33A 0.9300 .
C34 C35 1.366(6) .
C34 H34A 0.9300 .
C35 H35A 0.9300 .
N1A C39A 1.326(7) .
N1A C37A 1.362(8) .
N1A C40A 1.437(10) .
N2A C39A 1.319(9) .
N2A C38A 1.370(7) .
N2A C41A 1.495(10) .
C37A C38A 1.254(13) .
C37A H37A 0.9300 .
C38A H38A 0.9300 .
C39A H39A 0.9300 .
C40A H40A 0.9600 .
C40A H40B 0.9600 .
C40A H40C 0.9600 .
C41A C42A 1.511(8) .
C41A H41A 0.9700 .
C41A H41B 0.9700 .
C43A C44A 1.591(9) .
C43A C42A 1.607(9) .
C43A H43A 0.9700 .
C43A H43B 0.9700 .
C42A H42A 0.9700 .
C42A H42B 0.9700 .
C44A C45A 1.558(9) .
C44A H44A 0.9700 .
C44A H44B 0.9700 .
C45A C46A 1.525(9) .
C45A H45A 0.9700 .
C45A H45B 0.9700 .
C46A H46A 0.9600 .
C46A H46B 0.9600 .
C46A H46C 0.9600 .
N1B C39B 1.347(9) .
N1B C37B 1.360(9) .
N1B C40B 1.453(12) .
N2B C39B 1.280(10) .
N2B C38B 1.352(9) .
N2B C41B 1.459(12) .
C37B C38B 1.252(16) .
C37B H37B 0.9300 .
C38B H38B 0.9300 .
C39B H39B 0.9300 .
C40B H40D 0.9600 .
C40B H40E 0.9600 .
C40B H40F 0.9600 .
C41B C42B 1.513(10) .
C41B H41C 0.9700 .
C41B H41D 0.9700 .
C42B C43B 1.536(10) .
C42B H42C 0.9700 .
C42B H42D 0.9700 .
C43B C44B 1.593(10) .
C43B H43C 0.9700 .
C43B H43D 0.9700 .
C44B C45B 1.535(10) .
C44B H44C 0.9700 .
C44B H44D 0.9700 .
C45B C46B 1.503(10) .
C45B H45C 0.9700 .
C45B H45D 0.9700 .
C46B H46D 0.9600 .
C46B H46E 0.9600 .
C46B H46F 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
O11 Gd2 Cl1 Gd1 68.2(3) 4_565
O4 Gd2 Cl1 Gd1 -25.73(7) .
O10 Gd2 Cl1 Gd1 129.82(8) 3
O8 Gd2 Cl1 Gd1 51.99(7) 4_565
O9 Gd2 Cl1 Gd1 -91.90(9) .
O12 Gd2 Cl1 Gd1 -146.83(9) 2_545
O7 Gd1 Cl1 Gd2 -39.15(8) 4_565
O1 Gd1 Cl1 Gd2 -49.9(2) .
O5 Gd1 Cl1 Gd2 112.46(10) 4_566
O6 Gd1 Cl1 Gd2 -116.39(8) 2_644
O3 Gd1 Cl1 Gd2 44.56(8) .
O2 Gd1 Cl1 Gd2 166.67(9) 3_655
O7 Gd1 O1 C1 -154.3(5) 4_565
O5 Gd1 O1 C1 51.1(5) 4_566
O6 Gd1 O1 C1 -75.5(5) 2_644
O3 Gd1 O1 C1 125.3(5) .
O2 Gd1 O1 C1 -7.7(5) 3_655
Cl1 Gd1 O1 C1 -143.6(4) .
O7 Gd1 O3 C13 30.4(4) 4_565
O1 Gd1 O3 C13 108.8(4) .
O5 Gd1 O3 C13 -176.5(5) 4_566
O6 Gd1 O3 C13 21.4(7) 2_644
O2 Gd1 O3 C13 -114.0(4) 3_655
Cl1 Gd1 O3 C13 -47.5(4) .
O11 Gd2 O4 C13 161.2(4) 4_565
O10 Gd2 O4 C13 -114.9(4) 3
O8 Gd2 O4 C13 -120.6(4) 4_565
O9 Gd2 O4 C13 89.3(4) .
O12 Gd2 O4 C13 28.1(4) 2_545
Cl1 Gd2 O4 C13 -37.1(4) .
O11 Gd2 O9 C25 17.2(4) 4_565
O4 Gd2 O9 C25 120.0(4) .
O10 Gd2 O9 C25 -47.2(4) 3
O8 Gd2 O9 C25 72.8(4) 4_565
O12 Gd2 O9 C25 -115.0(4) 2_545
Cl1 Gd2 O9 C25 -169.1(3) .
Gd1 O1 C1 O2 -4.8(8) .
Gd1 O1 C1 C2 173.1(3) .
Gd1 O2 C1 O1 18.6(8) 3_655
Gd1 O2 C1 C2 -159.3(3) 3_655
O1 C1 C2 C3 -42.3(5) .
O2 C1 C2 C3 135.7(4) .
O1 C1 C2 C7 137.6(4) .
O2 C1 C2 C7 -44.3(6) .
C7 C2 C3 C4 2.1(6) .
C1 C2 C3 C4 -177.9(4) .
C2 C3 C4 C5 -0.9(6) .
C3 C4 C5 C6 -1.7(6) .
C3 C4 C5 C12 175.7(4) .
C4 C5 C6 C11 -174.5(4) .
C12 C5 C6 C11 8.3(6) .
C4 C5 C6 C7 3.1(6) .
C12 C5 C6 C7 -174.1(3) .
C11 C6 C7 C8 -2.4(5) .
C5 C6 C7 C8 179.9(3) .
C11 C6 C7 C2 175.8(3) .
C5 C6 C7 C2 -1.9(5) .
C3 C2 C7 C8 177.5(4) .
C1 C2 C7 C8 -2.5(6) .
C3 C2 C7 C6 -0.6(6) .
C1 C2 C7 C6 179.4(3) .
C6 C7 C8 C9 2.4(6) .
C2 C7 C8 C9 -175.7(4) .
C7 C8 C9 C10 -1.1(7) .
C8 C9 C10 C11 -0.3(7) .
C9 C10 C11 C6 0.3(7) .
C7 C6 C11 C10 1.1(6) .
C5 C6 C11 C10 178.7(4) .
Gd1 O5 C12 O6 22.9(14) 4_565
Gd1 O5 C12 C5 -155.5(9) 4_565
Gd1 O6 C12 O5 1.6(6) 2_654
Gd1 O6 C12 C5 179.9(3) 2_654
C4 C5 C12 O5 37.5(6) .
C6 C5 C12 O5 -145.3(4) .
C4 C5 C12 O6 -141.0(4) .
C6 C5 C12 O6 36.3(6) .
Gd1 O3 C13 O4 4.7(7) .
Gd1 O3 C13 C14 -177.9(3) .
Gd2 O4 C13 O3 62.5(6) .
Gd2 O4 C13 C14 -114.9(4) .
O3 C13 C14 C15 -34.6(5) .
O4 C13 C14 C15 143.0(4) .
O3 C13 C14 C19 147.3(4) .
O4 C13 C14 C19 -35.2(6) .
C19 C14 C15 C16 0.3(6) .
C13 C14 C15 C16 -178.0(4) .
C14 C15 C16 C17 1.1(7) .
C15 C16 C17 C18 -1.0(6) .
C15 C16 C17 C24 -179.1(4) .
C16 C17 C18 C23 -179.3(4) .
C24 C17 C18 C23 -1.3(5) .
C16 C17 C18 C19 -0.6(5) .
C24 C17 C18 C19 177.4(3) .
C23 C18 C19 C14 -179.3(3) .
C17 C18 C19 C14 1.9(5) .
C23 C18 C19 C20 2.8(5) .
C17 C18 C19 C20 -175.9(3) .
C15 C14 C19 C18 -1.8(5) .
C13 C14 C19 C18 176.3(3) .
C15 C14 C19 C20 176.0(4) .
C13 C14 C19 C20 -5.9(6) .
C18 C19 C20 C21 -1.7(6) .
C14 C19 C20 C21 -179.5(4) .
C19 C20 C21 C22 0.3(7) .
C20 C21 C22 C23 0.1(7) .
C21 C22 C23 C18 1.1(6) .
C19 C18 C23 C22 -2.6(5) .
C17 C18 C23 C22 176.1(4) .
Gd1 O7 C24 O8 7.1(11) 4_566
Gd1 O7 C24 C17 -171.7(6) 4_566
Gd2 O8 C24 O7 -34.8(6) 4_566
Gd2 O8 C24 C17 144.0(3) 4_566
C16 C17 C24 O7 32.9(5) .
C18 C17 C24 O7 -145.1(4) .
C16 C17 C24 O8 -146.0(4) .
C18 C17 C24 O8 36.0(5) .
Gd2 O9 C25 O10 33.4(6) .
Gd2 O9 C25 C26 -149.6(3) .
Gd2 O10 C25 O9 2.9(7) 3
Gd2 O10 C25 C26 -174.2(3) 3
O9 C25 C26 C27 -45.3(5) .
O10 C25 C26 C27 132.0(4) .
O9 C25 C26 C31 139.0(4) .
O10 C25 C26 C31 -43.7(5) .
C31 C26 C27 C28 6.6(6) .
C25 C26 C27 C28 -169.2(4) .
C26 C27 C28 C29 0.2(7) .
C27 C28 C29 C30 -7.0(6) .
C27 C28 C29 C36 168.7(4) .
C28 C29 C30 C31 7.0(5) .
C36 C29 C30 C31 -168.7(3) .
C28 C29 C30 C35 -170.7(4) .
C36 C29 C30 C35 13.7(6) .
C35 C30 C31 C26 177.4(3) .
C29 C30 C31 C26 -0.3(5) .
C35 C30 C31 C32 -0.2(5) .
C29 C30 C31 C32 -177.9(3) .
C27 C26 C31 C30 -6.5(5) .
C25 C26 C31 C30 169.2(3) .
C27 C26 C31 C32 171.1(4) .
C25 C26 C31 C32 -13.3(5) .
C30 C31 C32 C33 1.1(6) .
C26 C31 C32 C33 -176.4(4) .
C31 C32 C33 C34 -0.5(7) .
C32 C33 C34 C35 -1.0(8) .
C33 C34 C35 C30 2.0(7) .
C31 C30 C35 C34 -1.4(6) .
C29 C30 C35 C34 176.3(4) .
Gd2 O11 C36 O12 -105.5(8) 4_566
Gd2 O11 C36 C29 77.2(10) 4_566
Gd2 O12 C36 O11 11.5(5) 2
Gd2 O12 C36 C29 -171.2(3) 2
C28 C29 C36 O11 44.8(5) .
C30 C29 C36 O11 -139.5(4) .
C28 C29 C36 O12 -132.5(4) .
C30 C29 C36 O12 43.2(5) .
C39A N1A C37A C38A 0.0(3) .
C40A N1A C37A C38A 179.9(3) .
N1A C37A C38A N2A 0.0(3) .
C39A N2A C38A C37A -0.1(3) .
C41A N2A C38A C37A 179.6(2) .
C38A N2A C39A N1A 0.1(3) .
C41A N2A C39A N1A -179.6(2) .
C37A N1A C39A N2A -0.1(3) .
C40A N1A C39A N2A -179.9(2) .
C39A N2A C41A C42A 171.7(7) .
C38A N2A C41A C42A -8.0(7) .
N2A C41A C42A C43A -73.8(10) .
C44A C43A C42A C41A -180.0(9) .
C42A C43A C44A C45A -148.0(11) .
C43A C44A C45A C46A -52.5(16) .
C39B N1B C37B C38B -0.1(3) .
C40B N1B C37B C38B 179.9(3) .
N1B C37B C38B N2B -0.1(3) .
C39B N2B C38B C37B 0.3(4) .
C41B N2B C38B C37B -179.8(2) .
C38B N2B C39B N1B -0.4(3) .
C41B N2B C39B N1B 179.8(2) .
C37B N1B C39B N2B 0.3(3) .
C40B N1B C39B N2B -179.8(2) .
C39B N2B C41B C42B -2.0(11) .
C38B N2B C41B C42B 178.2(11) .
N2B C41B C42B C43B 116.1(11) .
C41B C42B C43B C44B 59(2) .
C42B C43B C44B C45B -171.0(18) .
C43B C44B C45B C46B -155(2) .
