#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:21:14 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180423 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/92/7209239.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_7209239
loop_
_publ_author_name
'Luo, Yun'
'Bernot, Kevin'
'Calvez, Guillaume'
'Freslon, Stéphane'
'Daiguebonne, Carole'
'Guillou, Olivier'
'Kerbellec, Nicolas'
'Roisnel, Thierry'
_publ_section_title
;
 1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high
 dimensional lanthanide-based coordination polymers
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              1882
_journal_paper_doi               10.1039/c2ce26940f
_journal_volume                  15
_journal_year                    2013
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C40 H56 Gd5 K1 O56'
_chemical_formula_sum            'C40 H56 Gd5 K O56'
_chemical_formula_weight         2258.2
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2012-11-22T14:24:19-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                107.218(5)
_cell_angle_beta                 96.735(5)
_cell_angle_gamma                97.691(5)
_cell_formula_units_Z            2
_cell_length_a                   9.537(5)
_cell_length_b                   14.761(5)
_cell_length_c                   23.057(5)
_cell_measurement_reflns_used    34568
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.032
_cell_measurement_theta_min      2.91
_cell_measurement_wavelength     0.71073
_cell_volume                     3030(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0584
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            41851
_diffrn_reflns_theta_full        32.05
_diffrn_reflns_theta_max         32.05
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    5.6000
_exptl_absorpt_correction_T_max  0.7764
_exptl_absorpt_correction_T_min  0.3504
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
a grid of 8 x 8 x 8 = 512 sampling points was used
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2166
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         4.56
_refine_diff_density_min         -6.806
_refine_diff_density_rms         0.321
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     844
_refine_ls_number_reflns         20544
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.043
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0807P)²+32.7747P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1625
_refine_ls_wR_factor_ref         0.1792
_reflns_number_gt                14291
_reflns_number_total             20544
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26940f.txt
_cod_data_source_block           gaussian-iso
_cod_database_code               7209239
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Gd1 Gd 0.43113(3) 0.12874(2) 0.957775(13) 0.01013(7) Uani 1 1 d .
Gd2 Gd -0.06339(3) -0.36819(2) 0.457588(13) 0.00930(7) Uani 1 1 d .
Gd3 Gd 0.30877(3) -0.34636(2) 0.798810(14) 0.00987(7) Uani 1 1 d .
Gd4 Gd 0.18644(3) -0.15516(2) 0.700924(13) 0.00917(7) Uani 1 1 d .
Gd5 Gd 0.64369(4) 0.24825(3) 0.65928(2) 0.02807(10) Uani 1 1 d .
K6 K 0.85240(19) 0.25034(14) 0.84090(9) 0.0298(4) Uani 1 1 d .
O7 O -0.0959(5) -0.5314(3) 0.5936(2) 0.0132(8) Uani 1 1 d .
O8 O 0.3393(5) -0.2901(4) 0.7127(2) 0.0164(9) Uani 1 1 d .
O9 O 0.2681(5) -0.0389(3) 0.9043(2) 0.0165(9) Uani 1 1 d .
O10 O 0.0190(5) -0.3069(3) 0.6539(2) 0.0139(9) Uani 1 1 d .
O11 O 0.2267(5) -0.4608(3) 0.5957(2) 0.0157(9) Uani 1 1 d .
O12 O 0.3773(6) 0.1104(4) 0.8471(2) 0.0210(10) Uani 1 1 d .
O13 O 0.1419(5) -0.2720(4) 0.8620(2) 0.0204(10) Uani 1 1 d .
O14 O 0.5703(5) -0.3225(3) 0.8061(3) 0.0207(10) Uani 1 1 d .
O15 O -0.1075(5) -0.4451(4) 0.5298(2) 0.0176(9) Uani 1 1 d .
O16 O 0.3081(5) 0.0027(4) 0.6943(2) 0.0195(10) Uani 1 1 d .
O17 O 0.1052(6) 0.3880(4) 0.6535(2) 0.0186(10) Uani 1 1 d .
O18 O 0.3060(6) 0.2350(4) 0.9078(2) 0.0218(10) Uani 1 1 d .
O19 O 0.1757(5) 0.2615(4) 0.5939(2) 0.0184(9) Uani 1 1 d .
O20 O 0.4771(4) -0.1941(3) 0.8455(2) 0.0128(8) Uani 1 1 d .
O21 O 0.1570(5) -0.2109(4) 0.7870(2) 0.0170(9) Uani 1 1 d .
O22 O 0.5887(5) 0.0311(3) 0.9034(2) 0.0164(9) Uani 1 1 d .
O23 O 0.3540(5) -0.2275(4) 0.6384(2) 0.0185(10) Uani 1 1 d .
O24 O -0.0760(5) -0.1775(4) 0.6905(3) 0.0228(11) Uani 1 1 d .
O25 O 0.3958(5) 0.0527(4) 1.0314(2) 0.0180(9) Uani 1 1 d .
O26 O 0.3293(5) -0.5879(3) 0.5636(3) 0.0201(10) Uani 1 1 d .
O27 O -0.0863(5) -0.2268(3) 0.5379(2) 0.0174(9) Uani 1 1 d .
O28 O 0.8832(5) 0.2375(3) 0.5464(2) 0.0179(9) Uani 1 1 d .
O29 O 0.6081(6) 0.3598(4) 1.1005(3) 0.0253(11) Uani 1 1 d .
O30 O 0.6049(5) 0.2586(3) 0.9521(2) 0.0189(10) Uani 1 1 d .
O31 O 0.1620(5) -0.3405(4) 0.5283(2) 0.0194(10) Uani 1 1 d .
O32 O 0.1889(6) -0.4995(4) 0.8086(2) 0.0221(10) Uani 1 1 d .
O33 O 0.0972(5) -0.4201(4) 0.7218(2) 0.0204(10) Uani 1 1 d .
O34 O 0.1660(5) 0.0862(4) 0.9436(3) 0.0248(12) Uani 1 1 d .
O35 O 0.3976(5) -0.0801(4) 0.7782(2) 0.0201(10) Uani 1 1 d .
O36 O 0.1123(6) -0.1384(4) 0.6007(2) 0.0215(10) Uani 1 1 d .
O37 O 0.8114(7) 0.3932(5) 0.6794(3) 0.0381(15) Uani 1 1 d .
O38 O 0.4076(6) 0.2732(4) 1.0377(2) 0.0214(10) Uani 1 1 d .
C39 C -0.2373(6) -0.3261(4) 0.6429(3) 0.0115(11) Uani 1 1 d .
O40 O 0.6558(6) 0.1586(4) 1.0286(2) 0.0217(10) Uani 1 1 d .
O41 O 0.1306(5) 0.0002(3) 0.7474(2) 0.0188(10) Uani 1 1 d .
O42 O 0.3585(5) -0.5059(4) 0.7511(2) 0.0198(10) Uani 1 1 d .
C43 C 0.7317(6) -0.1736(5) 0.8550(3) 0.0137(11) Uani 1 1 d .
O44 O 0.6119(8) 0.3390(6) 0.7625(4) 0.0496(18) Uiso 1 1 d .
C45 C 0.2450(7) 0.3471(5) 0.7605(3) 0.0151(12) Uani 1 1 d .
O46 O 0.7908(9) 0.1503(5) 0.6003(4) 0.050(2) Uani 1 1 d .
C47 C 0.1613(7) 0.3122(4) 0.6464(3) 0.0133(11) Uani 1 1 d .
C48 C 0.2767(8) 0.3131(5) 0.8099(3) 0.0186(13) Uani 1 1 d .
H48 H 0.2995 0.3564 0.8497 0.022 Uiso 1 1 calc R
C49 C 0.3190(7) 0.1846(5) 0.8547(3) 0.0171(12) Uani 1 1 d .
C50 C 0.2748(7) 0.2166(5) 0.8010(3) 0.0164(12) Uani 1 1 d .
C51 C -0.0114(7) -0.1600(5) 0.8550(3) 0.0135(11) Uani 1 1 d .
O52 O 0.4868(7) 0.3646(5) 0.6602(3) 0.0379(15) Uani 1 1 d .
C53 C 0.0648(7) -0.0781(5) 0.4717(3) 0.0153(12) Uani 1 1 d .
C54 C 0.8660(8) 0.1607(5) 0.5607(3) 0.0189(13) Uani 1 1 d .
O55 O 0.6189(7) 0.2859(5) 0.5619(3) 0.0400(15) Uani 1 1 d .
O56 O 0.8536(9) 0.2409(6) 0.7276(4) 0.058(2) Uiso 1 1 d .
C57 C 0.6039(9) 0.3292(6) 0.9319(4) 0.0257(15) Uani 1 1 d .
C58 C 0.8938(7) -0.0240(5) 0.9116(3) 0.0148(12) Uani 1 1 d .
H58 H 0.9083 0.0399 0.9365 0.018 Uiso 1 1 calc R
C59 C 0.6381(6) -0.0313(4) 0.9231(3) 0.0111(11) Uani 1 1 d .
C60 C 0.2622(7) -0.5464(4) 0.7738(3) 0.0149(12) Uani 1 1 d .
C61 C 0.5071(6) -0.3396(5) 0.6441(3) 0.0132(11) Uani 1 1 d .
C62 C 0.2048(7) 0.2816(4) 0.7003(3) 0.0129(11) Uani 1 1 d .
C63 C -0.2604(6) -0.4223(4) 0.6039(3) 0.0112(11) Uani 1 1 d .
C64 C -0.1438(6) -0.4679(4) 0.5744(3) 0.0106(10) Uani 1 1 d .
O65 O 1.1415(14) 0.2647(10) 0.9891(6) 0.104(4) Uiso 1 1 d .
C66 C 0.0102(6) -0.0648(5) 0.8926(3) 0.0136(11) Uani 1 1 d .
O67 O 0.5668(8) 0.1271(6) 0.7039(4) 0.0520(19) Uani 1 1 d .
C68 C 0.2359(7) 0.1513(5) 0.7412(3) 0.0159(12) Uani 1 1 d .
C69 C -0.0564(7) 0.0032(5) 0.5533(3) 0.0165(12) Uani 1 1 d .
H69 H -0.0939 0.0058 0.5891 0.02 Uiso 1 1 calc R
C70 C 0.1047(6) -0.2161(4) 0.8340(3) 0.0121(11) Uani 1 1 d .
C71 C 0.2027(7) 0.1843(5) 0.6914(3) 0.0172(12) Uani 1 1 d .
H71 H 0.1789 0.1406 0.6518 0.021 Uiso 1 1 calc R
O72 O 0.4347(11) 0.1415(9) 0.5945(5) 0.096(4) Uani 1 1 d .
C73 C 0.5077(7) 0.3462(5) 1.0562(3) 0.0163(12) Uani 1 1 d .
C74 C 0.4848(6) -0.4353(4) 0.6074(3) 0.0122(11) Uani 1 1 d .
C75 C 0.3907(6) -0.2847(4) 0.6657(3) 0.0109(11) Uani 1 1 d .
C76 C 0.7549(6) -0.0777(4) 0.8936(3) 0.0122(11) Uani 1 1 d .
C77 C 0.5842(6) -0.2341(4) 0.8344(3) 0.0118(11) Uani 1 1 d .
C78 C -0.0896(6) -0.2661(5) 0.6634(3) 0.0130(11) Uani 1 1 d .
C79 C 0.5490(8) 0.4165(5) 0.9681(3) 0.0198(13) Uani 1 1 d .
C80 C 0.5063(7) 0.4237(5) 1.0256(3) 0.0176(12) Uani 1 1 d .
C81 C 0.0120(7) -0.1527(4) 0.5566(3) 0.0136(11) Uani 1 1 d .
C82 C -0.3534(7) -0.2854(5) 0.6631(3) 0.0164(12) Uani 1 1 d .
H82 H -0.3386 -0.2222 0.6892 0.02 Uiso 1 1 calc R
C84 C 0.5427(8) 0.4928(5) 0.9439(3) 0.0222(14) Uani 1 1 d .
H84 H 0.5722 0.4876 0.9062 0.027 Uiso 1 1 calc R
O86 O 0.6425(9) 0.3279(6) 0.8817(4) 0.057(2) Uiso 1 1 d .
C88 C -0.3997(6) -0.4764(5) 0.5868(3) 0.0133(11) Uani 1 1 d .
H88 H -0.415 -0.5402 0.5615 0.016 Uiso 1 1 calc R
C91 C 0.8499(6) -0.2138(5) 0.8361(3) 0.0155(12) Uani 1 1 d .
H91 H 0.8359 -0.2773 0.8105 0.019 Uiso 1 1 calc R
C92 C 0.0070(7) -0.0757(4) 0.5260(3) 0.0144(11) Uani 1 1 d .
C93 C 0.1586(7) -0.0019(5) 0.9151(3) 0.0163(12) Uani 1 1 d .
C97 C 0.3369(6) -0.4972(5) 0.5878(3) 0.0136(11) Uani 1 1 d .
O98 O 0.6887(9) 0.1298(6) 0.8231(4) 0.055(2) Uiso 1 1 d .
O100 O 0.3880(17) -0.0515(11) 0.5676(7) 0.128(6) Uani 1 1 d .
C11 C 0.2263(7) 0.0456(4) 0.7275(3) 0.0139(11) Uani 1 1 d .
O104 O 0.2743(13) 0.4730(9) 0.2100(6) 0.101(4) Uiso 1 1 d .
O102 O 0.938(2) 0.3807(14) 0.8315(9) 0.157(7) Uiso 1 1 d .
O103 O 0.893(2) 0.2228(16) 0.9573(10) 0.178(8) Uiso 1 1 d .
OW1 O 0.3719(15) 0.1942(11) 0.4905(7) 0.116(5) Uiso 1 1 d .
O105 O 0.867(2) 0.0622(15) 0.7378(9) 0.168(7) Uiso 1 1 d .
OW2 O 0.866(2) 0.4462(14) 0.0555(9) 0.148(6) Uiso 1 1 d .
O106 O 0.989(3) 0.131(2) 0.8289(15) 0.275(14) Uiso 1 1 d .
OW3 O 0.692(3) -0.068(2) 0.6361(14) 0.266(13) Uiso 1 1 d .
OW4 O 0.120(3) 0.374(2) 0.0839(15) 0.275(13) Uiso 1 1 d .
OW5 O 1.107(4) 0.372(3) 0.9417(17) 0.322(17) Uiso 1 1 d .
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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
O25 Gd1 O30 134.71(18) . .
O25 Gd1 O22 99.16(17) . .
O30 Gd1 O22 82.61(17) . .
O25 Gd1 O38 84.58(17) . .
O30 Gd1 O38 72.74(18) . .
O22 Gd1 O38 147.81(18) . .
O25 Gd1 O40 70.90(18) . .
O30 Gd1 O40 66.51(17) . .
O22 Gd1 O40 72.74(18) . .
O38 Gd1 O40 78.51(18) . .
O25 Gd1 O12 144.12(18) . .
O30 Gd1 O12 79.50(18) . .
O22 Gd1 O12 70.87(17) . .
O38 Gd1 O12 122.58(17) . .
O40 Gd1 O12 132.56(19) . .
O25 Gd1 O34 77.09(19) . .
O30 Gd1 O34 137.16(17) . .
O22 Gd1 O34 126.07(18) . .
O38 Gd1 O34 86.02(18) . .
O40 Gd1 O34 145.5(2) . .
O12 Gd1 O34 81.66(19) . .
O25 Gd1 O18 138.10(17) . .
O30 Gd1 O18 70.32(18) . .
O22 Gd1 O18 119.59(16) . .
O38 Gd1 O18 71.34(17) . .
O40 Gd1 O18 132.84(18) . .
O12 Gd1 O18 52.06(16) . .
O34 Gd1 O18 67.72(18) . .
O25 Gd1 O9 71.15(17) . .
O30 Gd1 O9 149.42(17) . .
O22 Gd1 O9 76.06(16) . .
O38 Gd1 O9 134.13(16) . .
O40 Gd1 O9 125.28(16) . .
O12 Gd1 O9 72.99(17) . .
O34 Gd1 O9 51.46(16) . .
O18 Gd1 O9 101.60(17) . .
O25 Gd1 C49 150.21(19) . .
O30 Gd1 C49 72.87(18) . .
O22 Gd1 C49 95.24(18) . .
O38 Gd1 C49 96.87(19) . .
O40 Gd1 C49 138.67(19) . .
O12 Gd1 C49 26.09(18) . .
O34 Gd1 C49 73.3(2) . .
O18 Gd1 C49 25.98(18) . .
O9 Gd1 C49 87.38(18) . .
O25 Gd1 C93 72.62(19) . .
O30 Gd1 C93 151.96(18) . .
O22 Gd1 C93 101.13(19) . .
O38 Gd1 C93 110.40(19) . .
O40 Gd1 C93 141.33(18) . .
O12 Gd1 C93 75.69(19) . .
O34 Gd1 C93 25.67(18) . .
O18 Gd1 C93 84.09(18) . .
O9 Gd1 C93 25.79(17) . .
C49 Gd1 C93 79.10(19) . .
O15 Gd2 O27 83.62(17) . .
O15 Gd2 O7 98.14(16) . 2_546
O27 Gd2 O7 147.26(16) . 2_546
O15 Gd2 O28 135.24(18) . 2_656
O27 Gd2 O28 73.30(17) . 2_656
O7 Gd2 O28 83.24(16) 2_546 2_656
O15 Gd2 O31 72.58(17) . .
O27 Gd2 O31 78.66(17) . .
O7 Gd2 O31 70.89(17) 2_546 .
O28 Gd2 O31 65.67(17) 2_656 .
O15 Gd2 O17 143.50(17) . 2_556
O27 Gd2 O17 125.02(16) . 2_556
O7 Gd2 O17 70.41(16) 2_546 2_556
O28 Gd2 O17 79.24(17) 2_656 2_556
O31 Gd2 O17 129.86(18) . 2_556
O15 Gd2 O26 78.05(18) . 2_546
O27 Gd2 O26 88.27(17) . 2_546
O7 Gd2 O26 124.22(17) 2_546 2_546
O28 Gd2 O26 137.00(16) 2_656 2_546
O31 Gd2 O26 148.91(18) . 2_546
O17 Gd2 O26 80.60(18) 2_556 2_546
O15 Gd2 O19 139.20(17) . 2_556
O27 Gd2 O19 73.19(16) . 2_556
O7 Gd2 O19 119.52(16) 2_546 2_556
O28 Gd2 O19 69.21(16) 2_656 2_556
O31 Gd2 O19 131.87(17) . 2_556
O17 Gd2 O19 52.59(16) 2_556 2_556
O26 Gd2 O19 68.33(17) 2_546 2_556
O15 Gd2 O11 69.28(17) . 2_546
O27 Gd2 O11 133.87(16) . 2_546
O7 Gd2 O11 75.43(15) 2_546 2_546
O28 Gd2 O11 150.27(16) 2_656 2_546
O31 Gd2 O11 123.83(16) . 2_546
O17 Gd2 O11 74.26(16) 2_556 2_546
O26 Gd2 O11 50.84(15) 2_546 2_546
O19 Gd2 O11 103.68(16) 2_556 2_546
O15 Gd2 C47 150.65(18) . 2_556
O27 Gd2 C47 98.84(17) . 2_556
O7 Gd2 C47 95.24(17) 2_546 2_556
O28 Gd2 C47 72.20(17) 2_656 2_556
O31 Gd2 C47 136.71(17) . 2_556
O17 Gd2 C47 26.57(17) 2_556 2_556
O26 Gd2 C47 72.81(18) 2_546 2_556
O19 Gd2 C47 26.02(17) 2_556 2_556
O11 Gd2 C47 89.18(16) 2_546 2_556
O15 Gd2 C97 71.26(18) . 2_546
O27 Gd2 C97 111.43(18) . 2_546
O7 Gd2 C97 99.90(18) 2_546 2_546
O28 Gd2 C97 152.98(17) 2_656 2_546
O31 Gd2 C97 140.84(17) . 2_546
O17 Gd2 C97 76.68(17) 2_556 2_546
O26 Gd2 C97 25.61(17) 2_546 2_546
O19 Gd2 C97 86.36(17) 2_556 2_546
O11 Gd2 C97 25.25(16) 2_546 2_546
C47 Gd2 C97 80.78(17) 2_556 2_546
O8 Gd3 O33 73.07(17) . .
O8 Gd3 O42 95.50(17) . .
O33 Gd3 O42 77.75(17) . .
O8 Gd3 O13 114.74(16) . .
O33 Gd3 O13 84.62(19) . .
O42 Gd3 O13 138.66(17) . .
O8 Gd3 O29 152.84(18) . 2_657
O33 Gd3 O29 133.93(18) . 2_657
O42 Gd3 O29 89.27(19) . 2_657
O13 Gd3 O29 76.58(19) . 2_657
O8 Gd3 O20 77.00(16) . .
O33 Gd3 O20 141.74(16) . .
O42 Gd3 O20 128.94(16) . .
O13 Gd3 O20 86.79(17) . .
O29 Gd3 O20 79.24(17) 2_657 .
O8 Gd3 O14 78.89(18) . .
O33 Gd3 O14 138.85(18) . .
O42 Gd3 O14 75.60(16) . .
O13 Gd3 O14 135.16(18) . .
O29 Gd3 O14 76.44(19) 2_657 .
O20 Gd3 O14 53.34(15) . .
O8 Gd3 O32 133.56(17) . .
O33 Gd3 O32 67.49(18) . .
O42 Gd3 O32 53.41(17) . .
O13 Gd3 O32 85.32(18) . .
O29 Gd3 O32 69.33(18) 2_657 .
O20 Gd3 O32 148.56(17) . .
O14 Gd3 O32 116.98(18) . .
O8 Gd3 O21 64.42(15) . .
O33 Gd3 O21 70.57(16) . .
O42 Gd3 O21 146.15(17) . .
O13 Gd3 O21 50.32(15) . .
O29 Gd3 O21 121.35(18) 2_657 .
O20 Gd3 O21 75.31(15) . .
O14 Gd3 O21 122.38(16) . .
O32 Gd3 O21 120.55(17) . .
O8 Gd3 C60 116.01(18) . .
O33 Gd3 C60 70.04(18) . .
O42 Gd3 C60 27.06(18) . .
O13 Gd3 C60 111.63(19) . .
O29 Gd3 C60 78.47(19) 2_657 .
O20 Gd3 C60 146.59(17) . .
O14 Gd3 C60 97.14(18) . .
O32 Gd3 C60 26.36(18) . .
O21 Gd3 C60 137.97(17) . .
O8 Gd3 C77 77.02(17) . .
O33 Gd3 C77 149.92(18) . .
O42 Gd3 C77 102.21(17) . .
O13 Gd3 C77 111.27(19) . .
O29 Gd3 C77 75.84(19) 2_657 .
O20 Gd3 C77 26.74(16) . .
O14 Gd3 C77 26.61(16) . .
O32 Gd3 C77 136.55(18) . .
O21 Gd3 C77 99.37(17) . .
C60 Gd3 C77 122.21(18) . .
O8 Gd3 C70 89.93(17) . .
O33 Gd3 C70 76.22(17) . .
O42 Gd3 C70 150.54(17) . .
O13 Gd3 C70 24.81(17) . .
O29 Gd3 C70 98.97(19) 2_657 .
O20 Gd3 C70 80.50(16) . .
O14 Gd3 C70 133.80(16) . .
O32 Gd3 C70 103.19(17) . .
O21 Gd3 C70 25.52(16) . .
C60 Gd3 C70 127.45(18) . .
C77 Gd3 C70 107.23(17) . .
O41 Gd4 O21 95.11(17) . .
O41 Gd4 O35 78.66(18) . .
O21 Gd4 O35 72.99(17) . .
O41 Gd4 O23 139.36(17) . .
O21 Gd4 O23 114.93(16) . .
O35 Gd4 O23 84.52(18) . .
O41 Gd4 O36 88.63(18) . .
O21 Gd4 O36 155.21(17) . .
O35 Gd4 O36 131.66(17) . .
O23 Gd4 O36 75.48(18) . .
O41 Gd4 O10 127.44(16) . .
O21 Gd4 O10 77.45(17) . .
O35 Gd4 O10 142.26(16) . .
O23 Gd4 O10 87.21(17) . .
O36 Gd4 O10 80.84(17) . .
O41 Gd4 O24 73.83(16) . .
O21 Gd4 O24 80.96(18) . .
O35 Gd4 O24 139.91(19) . .
O23 Gd4 O24 134.78(18) . .
O36 Gd4 O24 76.57(19) . .
O10 Gd4 O24 53.62(16) . .
O41 Gd4 O16 53.38(17) . .
O21 Gd4 O16 131.77(17) . .
O35 Gd4 O16 66.14(17) . .
O23 Gd4 O16 85.99(17) . .
O36 Gd4 O16 68.90(17) . .
O10 Gd4 O16 149.73(16) . .
O24 Gd4 O16 115.59(17) . .
O41 Gd4 O8 147.03(17) . .
O21 Gd4 O8 64.51(15) . .
O35 Gd4 O8 70.85(16) . .
O23 Gd4 O8 50.43(15) . .
O36 Gd4 O8 121.02(17) . .
O10 Gd4 O8 75.55(15) . .
O24 Gd4 O8 123.76(16) . .
O16 Gd4 O8 120.57(16) . .
O41 Gd4 C78 100.40(18) . .
O21 Gd4 C78 78.32(18) . .
O35 Gd4 C78 151.04(18) . .
O23 Gd4 C78 111.59(18) . .
O36 Gd4 C78 76.90(18) . .
O10 Gd4 C78 27.05(17) . .
O24 Gd4 C78 26.57(17) . .
O16 Gd4 C78 136.08(17) . .
O8 Gd4 C78 100.27(17) . .
O41 Gd4 C11 26.75(18) . .
O21 Gd4 C11 114.95(18) . .
O35 Gd4 C11 70.20(17) . .
O23 Gd4 C11 112.62(18) . .
O36 Gd4 C11 77.69(18) . .
O10 Gd4 C11 145.58(17) . .
O24 Gd4 C11 95.05(18) . .
O16 Gd4 C11 26.64(18) . .
O8 Gd4 C11 138.81(17) . .
C78 Gd4 C11 120.41(18) . .
O41 Gd4 C75 151.98(17) . .
O21 Gd4 C75 90.00(16) . .
O35 Gd4 C75 76.56(18) . .
O23 Gd4 C75 24.94(16) . .
O36 Gd4 C75 98.14(18) . .
O10 Gd4 C75 80.56(16) . .
O24 Gd4 C75 134.18(16) . .
O16 Gd4 C75 103.85(17) . .
O8 Gd4 C75 25.50(15) . .
C78 Gd4 C75 107.61(18) . .
C11 Gd4 C75 128.80(18) . .
O37 Gd5 O67 142.0(3) . .
O37 Gd5 O46 93.4(3) . .
O67 Gd5 O46 92.1(3) . .
O37 Gd5 O72 147.0(3) . .
O67 Gd5 O72 70.5(3) . .
O46 Gd5 O72 89.2(4) . .
O37 Gd5 O52 78.2(2) . .
O67 Gd5 O52 115.3(3) . .
O46 Gd5 O52 145.3(2) . .
O72 Gd5 O52 81.1(4) . .
O37 Gd5 O56 72.3(3) . .
O67 Gd5 O56 74.3(3) . .
O46 Gd5 O56 70.8(3) . .
O72 Gd5 O56 138.5(4) . .
O52 Gd5 O56 134.9(3) . .
O37 Gd5 O44 78.4(3) . .
O67 Gd5 O44 75.8(3) . .
O46 Gd5 O44 145.2(3) . .
O72 Gd5 O44 116.0(3) . .
O52 Gd5 O44 66.6(2) . .
O56 Gd5 O44 74.5(3) . .
O37 Gd5 O55 75.2(2) . .
O67 Gd5 O55 142.3(3) . .
O46 Gd5 O55 76.6(2) . .
O72 Gd5 O55 73.5(3) . .
O52 Gd5 O55 68.6(2) . .
O56 Gd5 O55 131.7(3) . .
O44 Gd5 O55 131.6(2) . .
O37 Gd5 K6 84.17(16) . .
O67 Gd5 K6 57.9(2) . .
O46 Gd5 K6 96.2(2) . .
O72 Gd5 K6 128.2(3) . .
O52 Gd5 K6 116.03(17) . .
O56 Gd5 K6 29.2(2) . .
O44 Gd5 K6 49.64(18) . .
O55 Gd5 K6 157.57(17) . .
O102 K6 O98 153.2(6) . .
O102 K6 O106 119.0(10) . .
O98 K6 O106 80.4(8) . .
O102 K6 O86 88.4(5) . .
O98 K6 O86 77.5(3) . .
O106 K6 O86 151.1(8) . .
O102 K6 O56 67.4(6) . .
O98 K6 O56 96.3(3) . .
O106 K6 O56 89.7(8) . .
O86 K6 O56 110.9(3) . .
O102 K6 O103 119.8(7) . .
O98 K6 O103 81.3(5) . .
O106 K6 O103 75.6(9) . .
O86 K6 O103 82.8(5) . .
O56 K6 O103 165.3(5) . .
O102 K6 OW5 64.7(9) . .
O98 K6 OW5 140.0(7) . .
O106 K6 OW5 84.3(11) . .
O86 K6 OW5 101.1(7) . .
O56 K6 OW5 120.4(7) . .
O103 K6 OW5 59.1(8) . .
O102 K6 O105 118.2(6) . .
O98 K6 O105 61.4(4) . .
O106 K6 O105 44.0(8) . .
O86 K6 O105 132.9(4) . .
O56 K6 O105 56.6(4) . .
O103 K6 O105 110.5(6) . .
OW5 K6 O105 124.9(8) . .
O102 K6 O44 67.3(5) . .
O98 K6 O44 86.1(3) . .
O106 K6 O44 142.7(8) . .
O86 K6 O44 53.6(2) . .
O56 K6 O44 57.4(2) . .
O103 K6 O44 136.3(4) . .
OW5 K6 O44 125.7(7) . .
O105 K6 O44 99.3(4) . .
O102 K6 C57 98.5(5) . .
O98 K6 C57 74.3(3) . .
O106 K6 C57 136.0(8) . .
O86 K6 C57 17.4(2) . .
O56 K6 C57 128.0(2) . .
O103 K6 C57 65.5(4) . .
OW5 K6 C57 92.5(7) . .
O105 K6 C57 135.3(4) . .
O44 K6 C57 70.88(19) . .
O102 K6 Gd5 74.3(5) . .
O98 K6 Gd5 81.8(2) . .
O106 K6 Gd5 109.9(8) . .
O86 K6 Gd5 85.1(2) . .
O56 K6 Gd5 27.44(19) . .
O103 K6 Gd5 161.0(4) . .
OW5 K6 Gd5 138.2(7) . .
O105 K6 Gd5 68.2(4) . .
O44 K6 Gd5 33.27(13) . .
C57 K6 Gd5 101.45(14) . .
C64 O7 Gd2 123.5(4) . 2_546
C75 O8 Gd3 156.3(4) . .
C75 O8 Gd4 88.3(4) . .
Gd3 O8 Gd4 115.43(17) . .
C93 O9 Gd1 90.2(4) . .
C78 O10 Gd4 92.5(4) . .
C97 O11 Gd2 90.5(4) . 2_546
C49 O12 Gd1 95.2(4) . .
C70 O13 Gd3 100.4(4) . .
C77 O14 Gd3 92.4(4) . .
C64 O15 Gd2 165.6(4) . .
C11 O16 Gd4 89.7(4) . .
C47 O17 Gd2 93.8(4) . 2_556
C49 O18 Gd1 91.9(4) . .
C47 O19 Gd2 92.6(4) . 2_556
C77 O20 Gd3 92.5(4) . .
C70 O21 Gd4 155.8(4) . .
C70 O21 Gd3 88.5(4) . .
Gd4 O21 Gd3 115.64(17) . .
C59 O22 Gd1 121.3(4) . .
C75 O23 Gd4 100.7(4) . .
C78 O24 Gd4 92.2(4) . .
C59 O25 Gd1 164.5(4) 2_657 .
C97 O26 Gd2 97.1(4) . 2_546
C81 O27 Gd2 121.4(4) . .
C54 O28 Gd2 143.6(5) . 2_656
C73 O29 Gd3 149.7(5) . 2_657
C57 O30 Gd1 136.7(5) . .
C60 O32 Gd3 91.4(4) . .
C93 O34 Gd1 95.8(4) . .
C81 O36 Gd4 147.2(5) . .
C73 O38 Gd1 120.8(4) . .
C82 C39 C63 119.6(5) . .
C82 C39 C78 119.0(6) . .
C63 C39 C78 121.4(5) . .
C11 O41 Gd4 95.4(4) . .
C60 O42 Gd3 93.1(4) . .
C91 C43 C76 118.7(6) . .
C91 C43 C77 119.5(6) . .
C76 C43 C77 121.8(5) . .
Gd5 O44 K6 97.1(2) . .
C48 C45 C62 119.8(6) . .
C48 C45 C60 117.6(6) . 1_565
C62 C45 C60 122.5(6) . 1_565
C54 O46 Gd5 133.5(5) . .
O19 C47 O17 121.0(6) . .
O19 C47 C62 119.3(6) . .
O17 C47 C62 119.6(6) . .
O19 C47 Gd2 61.4(3) . 2_556
O17 C47 Gd2 59.6(3) . 2_556
C62 C47 Gd2 177.3(4) . 2_556
C50 C48 C45 121.2(6) . .
O18 C49 O12 120.8(6) . .
O18 C49 C50 119.3(6) . .
O12 C49 C50 119.7(6) . .
O18 C49 Gd1 62.1(3) . .
O12 C49 Gd1 58.8(3) . .
C50 C49 Gd1 174.8(5) . .
C48 C50 C68 119.1(6) . .
C48 C50 C49 119.2(6) . .
C68 C50 C49 121.7(6) . .
C66 C51 C91 119.8(6) . 1_455
C66 C51 C70 125.9(5) . .
C91 C51 C70 114.2(6) 1_455 .
C69 C53 C92 119.8(6) 2_556 .
C69 C53 C54 118.6(6) 2_556 2_656
C92 C53 C54 121.6(6) . 2_656
O46 C54 O28 122.1(6) . .
O46 C54 C53 118.7(6) . 2_656
O28 C54 C53 119.2(6) . 2_656
Gd5 O56 K6 123.4(3) . .
O86 C57 O30 122.0(8) . .
O86 C57 C79 118.9(7) . .
O30 C57 C79 119.1(7) . .
O86 C57 K6 38.0(5) . .
O30 C57 K6 90.3(5) . .
C79 C57 K6 145.1(5) . .
C66 C58 C76 120.8(6) 1_655 .
O25 C59 O22 124.2(6) 2_657 .
O25 C59 C76 117.0(6) 2_657 .
O22 C59 C76 118.6(5) . .
O32 C60 O42 122.1(6) . .
O32 C60 C45 119.9(6) . 1_545
O42 C60 C45 117.9(6) . 1_545
O32 C60 Gd3 62.3(3) . .
O42 C60 Gd3 59.8(3) . .
C45 C60 Gd3 177.2(5) 1_545 .
C74 C61 C82 120.3(6) . 1_655
C74 C61 C75 125.1(5) . .
C82 C61 C75 114.6(6) 1_655 .
C71 C62 C45 118.9(6) . .
C71 C62 C47 118.4(6) . .
C45 C62 C47 122.6(5) . .
C88 C63 C39 119.6(5) . .
C88 C63 C64 117.3(5) . .
C39 C63 C64 122.8(5) . .
O15 C64 O7 124.2(6) . .
O15 C64 C63 117.5(5) . .
O7 C64 C63 118.1(5) . .
C58 C66 C51 119.7(6) 1_455 .
C58 C66 C93 117.6(6) 1_455 .
C51 C66 C93 122.6(6) . .
C71 C68 C50 120.3(6) . .
C71 C68 C11 116.9(6) . .
C50 C68 C11 122.8(6) . .
C53 C69 C92 121.8(6) 2_556 .
O13 C70 O21 120.8(6) . .
O13 C70 C51 118.5(6) . .
O21 C70 C51 120.6(6) . .
O13 C70 Gd3 54.8(3) . .
O21 C70 Gd3 66.0(3) . .
C51 C70 Gd3 172.0(4) . .
C62 C71 C68 120.6(6) . .
O29 C73 O38 123.5(6) . .
O29 C73 C80 117.2(6) . .
O38 C73 C80 119.2(6) . .
C61 C74 C88 119.9(6) . 1_655
C61 C74 C97 122.0(5) . .
C88 C74 C97 118.2(5) 1_655 .
O23 C75 O8 120.6(6) . .
O23 C75 C61 118.0(5) . .
O8 C75 C61 121.2(6) . .
O23 C75 Gd4 54.4(3) . .
O8 C75 Gd4 66.2(3) . .
C61 C75 Gd4 171.2(4) . .
C58 C76 C43 120.0(5) . .
C58 C76 C59 116.8(5) . .
C43 C76 C59 122.9(5) . .
O14 C77 O20 121.7(6) . .
O14 C77 C43 119.4(5) . .
O20 C77 C43 118.8(5) . .
O14 C77 Gd3 61.0(3) . .
O20 C77 Gd3 60.8(3) . .
C43 C77 Gd3 178.7(4) . .
O24 C78 O10 121.6(6) . .
O24 C78 C39 119.2(5) . .
O10 C78 C39 119.2(6) . .
O24 C78 Gd4 61.2(3) . .
O10 C78 Gd4 60.4(3) . .
C39 C78 Gd4 179.6(5) . .
C84 C79 C80 119.6(6) . .
C84 C79 C57 118.5(6) . .
C80 C79 C57 121.9(6) . .
C84 C80 C79 118.1(6) 2_667 .
C84 C80 C73 117.5(6) 2_667 .
C79 C80 C73 124.3(6) . .
O36 C81 O27 123.6(6) . .
O36 C81 C92 117.6(6) . .
O27 C81 C92 118.7(6) . .
C39 C82 C61 120.2(6) . 1_455
C80 C84 C79 122.3(7) 2_667 .
C57 O86 K6 124.6(7) . .
C74 C88 C63 120.4(6) 1_455 .
C51 C91 C43 121.0(6) 1_655 .
C69 C92 C53 118.4(6) . .
C69 C92 C81 118.0(6) . .
C53 C92 C81 123.6(6) . .
O9 C93 O34 122.5(6) . .
O9 C93 C66 119.6(6) . .
O34 C93 C66 117.9(6) . .
O9 C93 Gd1 64.1(3) . .
O34 C93 Gd1 58.5(3) . .
C66 C93 Gd1 176.1(4) . .
O11 C97 O26 121.5(6) . .
O11 C97 C74 121.1(6) . .
O26 C97 C74 117.4(5) . .
O11 C97 Gd2 64.3(3) . 2_546
O26 C97 Gd2 57.3(3) . 2_546
C74 C97 Gd2 174.4(5) . 2_546
O16 C11 O41 121.6(6) . .
O16 C11 C68 119.6(6) . .
O41 C11 C68 118.8(6) . .
O16 C11 Gd4 63.7(3) . .
O41 C11 Gd4 57.9(3) . .
C68 C11 Gd4 175.9(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O25 2.328(5) .
Gd1 O30 2.406(5) .
Gd1 O22 2.420(5) .
Gd1 O38 2.427(5) .
Gd1 O40 2.440(5) .
Gd1 O12 2.469(5) .
Gd1 O34 2.481(5) .
Gd1 O18 2.542(5) .
Gd1 O9 2.603(5) .
Gd1 C49 2.876(6) .
Gd1 C93 2.895(7) .
Gd2 O15 2.322(5) .
Gd2 O27 2.400(5) .
Gd2 O7 2.426(4) 2_546
Gd2 O28 2.437(5) 2_656
Gd2 O31 2.448(5) .
Gd2 O17 2.469(5) 2_556
Gd2 O26 2.485(5) 2_546
Gd2 O19 2.509(5) 2_556
Gd2 O11 2.640(5) 2_546
Gd2 C47 2.856(6) 2_556
Gd2 C97 2.931(6) 2_546
Gd3 O8 2.400(5) .
Gd3 O33 2.416(5) .
Gd3 O42 2.423(5) .
Gd3 O13 2.435(5) .
Gd3 O29 2.438(5) 2_657
Gd3 O20 2.446(5) .
Gd3 O14 2.451(5) .
Gd3 O32 2.477(5) .
Gd3 O21 2.679(5) .
Gd3 C60 2.798(6) .
Gd3 C77 2.800(6) .
Gd3 C70 2.931(6) .
Gd4 O41 2.387(5) .
Gd4 O21 2.394(5) .
Gd4 O35 2.418(5) .
Gd4 O23 2.421(5) .
Gd4 O36 2.431(5) .
Gd4 O10 2.437(5) .
Gd4 O24 2.454(5) .
Gd4 O16 2.515(5) .
Gd4 O8 2.678(5) .
Gd4 C78 2.799(6) .
Gd4 C11 2.806(6) .
Gd4 C75 2.926(6) .
Gd5 O37 2.382(6) .
Gd5 O67 2.389(7) .
Gd5 O46 2.395(6) .
Gd5 O72 2.399(9) .
Gd5 O52 2.421(6) .
Gd5 O56 2.434(8) .
Gd5 O44 2.438(8) .
Gd5 O55 2.460(7) .
Gd5 K6 4.410(2) .
K6 O102 2.071(19) .
K6 O98 2.108(9) .
K6 O106 2.30(3) .
K6 O86 2.573(9) .
K6 O56 2.576(9) .
K6 O103 2.82(2) .
K6 OW5 3.09(4) .
K6 O105 3.11(2) .
K6 O44 3.386(8) .
K6 C57 3.440(8) .
O7 C64 1.263(7) .
O7 Gd2 2.426(4) 2_546
O8 C75 1.260(7) .
O9 C93 1.259(8) .
O10 C78 1.274(7) .
O11 C97 1.250(8) .
O11 Gd2 2.640(5) 2_546
O12 C49 1.270(8) .
O13 C70 1.250(8) .
O14 C77 1.256(8) .
O15 C64 1.244(8) .
O16 C11 1.258(8) .
O17 C47 1.280(8) .
O17 Gd2 2.469(5) 2_556
O18 C49 1.260(8) .
O19 C47 1.254(8) .
O19 Gd2 2.509(5) 2_556
O20 C77 1.261(7) .
O21 C70 1.263(8) .
O22 C59 1.261(8) .
O23 C75 1.255(8) .
O24 C78 1.253(8) .
O25 C59 1.246(8) 2_657
O26 C97 1.277(8) .
O26 Gd2 2.485(5) 2_546
O27 C81 1.270(8) .
O28 C54 1.266(8) .
O28 Gd2 2.437(5) 2_656
O29 C73 1.264(8) .
O29 Gd3 2.438(5) 2_657
O30 C57 1.262(8) .
O32 C60 1.243(8) .
O34 C93 1.261(9) .
O36 C81 1.258(8) .
O38 C73 1.270(9) .
C39 C82 1.392(9) .
C39 C63 1.410(8) .
C39 C78 1.501(8) .
O41 C11 1.268(8) .
O42 C60 1.275(8) .
C43 C91 1.397(8) .
C43 C76 1.403(9) .
C43 C77 1.503(8) .
C45 C48 1.393(9) .
C45 C62 1.411(9) .
C45 C60 1.492(9) 1_565
O46 C54 1.257(9) .
C47 C62 1.479(9) .
C47 Gd2 2.856(6) 2_556
C48 C50 1.375(9) .
C49 C50 1.487(9) .
C50 C68 1.402(9) .
C51 C66 1.389(9) .
C51 C91 1.397(9) 1_455
C51 C70 1.510(9) .
C53 C69 1.397(9) 2_556
C53 C92 1.418(9) .
C53 C54 1.507(9) 2_656
C54 C53 1.507(9) 2_656
C57 O86 1.250(11) .
C57 C79 1.509(10) .
C58 C66 1.386(8) 1_655
C58 C76 1.396(9) .
C59 O25 1.246(8) 2_657
C59 C76 1.510(8) .
C60 C45 1.492(9) 1_545
C61 C74 1.388(9) .
C61 C82 1.404(8) 1_655
C61 C75 1.506(8) .
C62 C71 1.385(9) .
C63 C88 1.402(8) .
C63 C64 1.503(8) .
C66 C58 1.386(8) 1_455
C66 C93 1.524(9) .
C68 C71 1.394(9) .
C68 C11 1.485(9) .
C69 C53 1.397(9) 2_556
C69 C92 1.401(9) .
C73 C80 1.511(9) .
C74 C88 1.393(8) 1_655
C74 C97 1.513(8) .
C79 C84 1.402(10) .
C79 C80 1.411(9) .
C80 C84 1.397(10) 2_667
C81 C92 1.508(9) .
C82 C61 1.404(8) 1_455
C84 C80 1.397(10) 2_667
C88 C74 1.393(8) 1_455
C91 C51 1.397(9) 1_655
C97 Gd2 2.931(6) 2_546
