#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:29:39 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180184 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/80/7108088.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_7108088
loop_
_publ_author_name
'Julia Vallejo'
'Joan Cano'
'Isabel Castro'
'Miguel Julve'
'Francesc Lloret'
'Oscar Fabelo'
'Laura Canadillas-Delgado'
'Emilio Pardo'
_publ_section_title
;
 Slow magnetic relaxation in carbonato-bridged dinuclear lanthanide(III)
 complexes with 2,3-quinoxalinediolate ligands
;
_journal_name_full               Chem.Commun.
_journal_page_first              7726
_journal_paper_doi               10.1039/c2cc33674j
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C292 H485 Gd8 K8 N72 O104'
_chemical_formula_weight         8239.18
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 91.62(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   33.572(7)
_cell_length_b                   16.084(3)
_cell_length_c                   36.841(7)
_cell_measurement_temperature    100(2)
_cell_volume                     19885(7)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'mxcube (Gabadinho & McSweeney, 2010'
_computing_data_reduction        'HKL2000 (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, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'HUBER ADSC Q210r CCD detector'
_diffrn_detector_area_resol_mean 9.6
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Single-axis HUBER diffractometer'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_detector       'ADSC Q210r CCD (binned mode)'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.73790
_diffrn_reflns_av_R_equivalents  0.0814
_diffrn_reflns_av_sigmaI/netI    0.0661
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            97404
_diffrn_reflns_theta_full        23.35
_diffrn_reflns_theta_max         23.35
_diffrn_reflns_theta_min         1.15
_diffrn_source                   synchrotron
_diffrn_source_type              'ESRF-CRG BM16'
_exptl_absorpt_coefficient_mu    1.625
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             7712
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.845
_refine_diff_density_min         -1.273
_refine_diff_density_rms         0.190
_refine_ls_extinction_coef       0.0072(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1857
_refine_ls_number_reflns         25216
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.244
_refine_ls_R_factor_all          0.1454
_refine_ls_R_factor_gt           0.1355
_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)+(0.1346P)²+632.9435P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3684
_refine_ls_wR_factor_ref         0.3746
_reflns_number_gt                21778
_reflns_number_total             25216
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc33674j.txt
_cod_data_source_block           Compound_2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7108088
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
Gd1 Gd 0.60374(4) 1.20323(7) 0.61824(4) 0.0647(5) Uani 1 1 d .
Gd2 Gd 0.61514(3) 0.89800(7) 0.65255(3) 0.0579(4) Uani 1 1 d .
Gd3 Gd 0.95263(4) 0.67051(8) 0.61886(3) 0.0669(5) Uani 1 1 d .
Gd4 Gd 0.91736(3) 0.36919(8) 0.58903(3) 0.0643(5) Uani 1 1 d .
K1 K 0.54451(19) 1.0695(4) 0.68536(17) 0.0815(16) Uani 1 1 d .
K2 K 0.54681(15) 1.0110(3) 0.57974(14) 0.0647(13) Uani 1 1 d .
K3 K 0.9531(2) 0.4735(4) 0.6781(2) 0.095(2) Uani 1 1 d .
K4 K 0.8545(2) 0.5475(5) 0.6267(3) 0.118(3) Uani 1 1 d .
C1 C 0.6089(7) 1.2494(16) 0.7030(9) 0.077(8) Uani 1 1 d .
C1O C 0.6489(8) 1.0560(15) 0.6330(6) 0.060(6) Uani 1 1 d .
C2 C 0.6321(10) 1.2879(19) 0.7608(10) 0.098(10) Uani 1 1 d .
C2O C 0.9572(7) 0.523(2) 0.5747(6) 0.075(8) Uani 1 1 d .
C3 C 0.6276(11) 1.285(2) 0.7972(9) 0.108(11) Uani 1 1 d .
H3 H 0.6049 1.2599 0.8061 0.129 Uiso 1 1 calc R
C4 C 0.6547(15) 1.317(3) 0.8211(12) 0.132(15) Uani 1 1 d .
H4 H 0.6518 1.3101 0.8460 0.158 Uiso 1 1 calc R
C5 C 0.6853(15) 1.359(3) 0.8086(12) 0.139(17) Uani 1 1 d .
H5 H 0.7043 1.3793 0.8252 0.167 Uiso 1 1 calc R
C6 C 0.6911(10) 1.375(3) 0.7692(13) 0.139(18) Uani 1 1 d .
H6 H 0.7102 1.4093 0.7592 0.167 Uiso 1 1 calc R
C7 C 0.6612(10) 1.326(2) 0.7496(11) 0.107(11) Uani 1 1 d .
C8 C 0.6398(8) 1.2998(19) 0.6881(10) 0.090(9) Uani 1 1 d .
C9 C 0.5084(8) 1.2027(14) 0.6209(7) 0.072(7) Uani 1 1 d .
C10 C 0.4430(7) 1.2419(19) 0.6274(8) 0.084(8) Uani 1 1 d .
C11 C 0.4050(8) 1.220(2) 0.6377(11) 0.109(11) Uani 1 1 d .
H11 H 0.3998 1.1653 0.6439 0.131 Uiso 1 1 calc R
C12 C 0.3741(11) 1.279(3) 0.6390(12) 0.133(15) Uani 1 1 d .
H12 H 0.3485 1.2636 0.6454 0.160 Uiso 1 1 calc R
C13 C 0.3839(11) 1.362(3) 0.6300(11) 0.123(14) Uani 1 1 d .
H13 H 0.3646 1.4036 0.6317 0.148 Uiso 1 1 calc R
C14 C 0.4208(11) 1.3819(19) 0.6191(10) 0.104(11) Uani 1 1 d .
H14 H 0.4260 1.4363 0.6121 0.125 Uiso 1 1 calc R
C15 C 0.4515(9) 1.3230(18) 0.6180(8) 0.084(8) Uani 1 1 d .
C16 C 0.5193(9) 1.2904(16) 0.6112(7) 0.074(7) Uani 1 1 d .
C17 C 0.5391(6) 0.7805(15) 0.6533(6) 0.061(6) Uani 1 1 d .
C18 C 0.4784(7) 0.7227(16) 0.6365(7) 0.068(6) Uani 1 1 d .
C19 C 0.4544(8) 0.6503(17) 0.6313(8) 0.085(8) Uani 1 1 d .
H19 H 0.4640 0.5990 0.6393 0.102 Uiso 1 1 calc R
C20 C 0.4181(7) 0.6555(18) 0.6149(9) 0.085(8) Uani 1 1 d .
H20 H 0.4032 0.6076 0.6106 0.102 Uiso 1 1 calc R
C21 C 0.4032(9) 0.730(2) 0.6046(9) 0.101(10) Uani 1 1 d .
H21 H 0.3773 0.7343 0.5953 0.122 Uiso 1 1 calc R
C22 C 0.4271(7) 0.8032(16) 0.6081(8) 0.080(8) Uani 1 1 d .
H22 H 0.4176 0.8537 0.5991 0.096 Uiso 1 1 calc R
C23 C 0.4635(7) 0.7987(16) 0.6245(7) 0.066(6) Uani 1 1 d .
C24 C 0.5225(6) 0.8640(15) 0.6411(6) 0.060(6) Uani 1 1 d .
C25 C 0.6582(6) 0.8964(14) 0.7310(8) 0.063(6) Uani 1 1 d .
C26 C 0.6813(7) 0.9330(15) 0.7896(7) 0.063(6) Uani 1 1 d .
C27 C 0.7112(7) 0.9268(16) 0.8168(8) 0.074(7) Uani 1 1 d .
H27 H 0.7317 0.8885 0.8144 0.089 Uiso 1 1 calc R
C28 C 0.7106(7) 0.976(2) 0.8468(7) 0.083(8) Uani 1 1 d .
H28 H 0.7299 0.9705 0.8652 0.100 Uiso 1 1 calc R
C29 C 0.6789(8) 1.0385(17) 0.8496(7) 0.073(7) Uani 1 1 d .
H29 H 0.6783 1.0744 0.8693 0.088 Uiso 1 1 calc R
C30 C 0.6509(8) 1.0426(18) 0.8231(7) 0.077(7) Uani 1 1 d .
H30 H 0.6306 1.0813 0.8255 0.093 Uiso 1 1 calc R
C31 C 0.6502(7) 0.9928(15) 0.7923(7) 0.063(6) Uani 1 1 d .
C32 C 0.6249(6) 0.9572(15) 0.7352(7) 0.060(6) Uani 1 1 d .
C33 C 0.6205(7) 0.8396(17) 0.5696(7) 0.069(6) Uani 1 1 d .
C34 C 0.6436(8) 0.791(2) 0.5148(9) 0.091(9) Uani 1 1 d .
C35 C 0.6417(10) 0.791(2) 0.4761(8) 0.099(10) Uani 1 1 d .
H35 H 0.6228 0.8237 0.4638 0.118 Uiso 1 1 calc R
C36 C 0.6666(12) 0.745(3) 0.4578(9) 0.127(14) Uani 1 1 d .
H36 H 0.6639 0.7435 0.4326 0.153 Uiso 1 1 calc R
C37 C 0.6969(16) 0.699(4) 0.4749(13) 0.23(4) Uani 1 1 d .
H37 H 0.7164 0.6730 0.4616 0.279 Uiso 1 1 calc R
C38 C 0.6971(14) 0.694(4) 0.5117(11) 0.18(3) Uani 1 1 d .
H38 H 0.7150 0.6583 0.5234 0.221 Uiso 1 1 calc R
C39 C 0.6714(7) 0.7410(17) 0.5323(10) 0.087(9) Uani 1 1 d .
C40 C 0.6514(6) 0.7883(14) 0.5890(8) 0.065(6) Uani 1 1 d .
C41 C 0.6160(8) 1.1574(18) 0.5353(7) 0.074(7) Uani 1 1 d .
C42 C 0.6448(8) 1.141(2) 0.4796(7) 0.082(8) Uani 1 1 d .
C43 C 0.6481(10) 1.096(2) 0.4476(9) 0.100(10) Uani 1 1 d .
H43 H 0.6326 1.0484 0.4436 0.120 Uiso 1 1 calc R
C44 C 0.6740(12) 1.121(3) 0.4223(10) 0.109(11) Uani 1 1 d .
H44 H 0.6755 1.0905 0.4009 0.130 Uiso 1 1 calc R
C45 C 0.6975(11) 1.187(4) 0.4271(9) 0.135(18) Uani 1 1 d .
H45 H 0.7157 1.2007 0.4094 0.162 Uiso 1 1 calc R
C46 C 0.6951(9) 1.237(2) 0.4588(9) 0.097(9) Uani 1 1 d .
H46 H 0.7109 1.2845 0.4619 0.117 Uiso 1 1 calc R
C47 C 0.6683(8) 1.214(2) 0.4846(8) 0.084(8) Uani 1 1 d .
C48 C 0.6411(7) 1.2311(18) 0.5415(7) 0.069(6) Uani 1 1 d .
C49 C 1.0465(9) 0.6739(19) 0.6287(7) 0.079(8) Uani 1 1 d .
C50 C 1.1120(9) 0.631(3) 0.6346(9) 0.123(16) Uani 1 1 d .
C51 C 1.1541(14) 0.659(4) 0.6262(11) 0.16(2) Uani 1 1 d .
H51 H 1.1615 0.7088 0.6155 0.197 Uiso 1 1 calc R
C52 C 1.1828(15) 0.585(4) 0.6395(14) 0.16(2) Uani 1 1 d .
H52 H 1.2101 0.5911 0.6367 0.196 Uiso 1 1 calc R
C53 C 1.1692(18) 0.514(5) 0.6549(10) 0.19(3) Uani 1 1 d .
H53 H 1.1878 0.4741 0.6623 0.231 Uiso 1 1 calc R
C54 C 1.1293(10) 0.498(3) 0.6602(8) 0.113(13) Uani 1 1 d .
H54 H 1.1214 0.4465 0.6694 0.136 Uiso 1 1 calc R
C55 C 1.1010(10) 0.558(2) 0.6516(8) 0.093(10) Uani 1 1 d .
C56 C 1.0347(9) 0.6036(17) 0.6489(7) 0.076(7) Uani 1 1 d .
C57 C 0.9092(11) 0.782(3) 0.5592(10) 0.115(12) Uani 1 1 d .
C58 C 0.8649(16) 0.831(3) 0.5143(9) 0.124(15) Uani 1 1 d .
C59 C 0.858(2) 0.887(5) 0.4837(17) 0.26(5) Uani 1 1 d .
H59 H 0.8774 0.9253 0.4772 0.315 Uiso 1 1 calc R
C60 C 0.8237(18) 0.880(6) 0.4655(12) 0.22(4) Uani 1 1 d .
H60 H 0.8196 0.9128 0.4449 0.269 Uiso 1 1 calc R
C61 C 0.7927(17) 0.825(4) 0.4756(16) 0.17(3) Uani 1 1 d .
H61 H 0.7687 0.8216 0.4625 0.204 Uiso 1 1 calc R
C62 C 0.8003(11) 0.779(2) 0.5055(11) 0.115(12) Uani 1 1 d .
H62 H 0.7803 0.7443 0.5138 0.138 Uiso 1 1 calc R
C63 C 0.8365(11) 0.781(2) 0.5245(10) 0.093(10) Uani 1 1 d .
C64 C 0.8774(10) 0.730(2) 0.5711(8) 0.086(8) Uani 1 1 d .
C65 C 0.9139(8) 0.7604(16) 0.6851(7) 0.071(7) Uani 1 1 d .
C66 C 0.8703(8) 0.8040(18) 0.7309(8) 0.078(7) Uani 1 1 d .
C67 C 0.8547(9) 0.864(2) 0.7525(8) 0.100(10) Uani 1 1 d .
H67 H 0.8655 0.9173 0.7514 0.120 Uiso 1 1 calc R
C68 C 0.8246(11) 0.851(3) 0.7752(12) 0.132(15) Uani 1 1 d .
H68 H 0.8140 0.8942 0.7887 0.158 Uiso 1 1 calc R
C69 C 0.8095(11) 0.767(3) 0.7775(10) 0.116(12) Uani 1 1 d .
H69 H 0.7891 0.7562 0.7934 0.139 Uiso 1 1 calc R
C70 C 0.8245(8) 0.703(3) 0.7570(9) 0.104(11) Uani 1 1 d .
H70 H 0.8140 0.6500 0.7587 0.125 Uiso 1 1 calc R
C71 C 0.8572(8) 0.7209(19) 0.7325(8) 0.080(7) Uani 1 1 d .
C72 C 0.9000(8) 0.6768(16) 0.6892(7) 0.068(6) Uani 1 1 d .
C73 C 0.8426(7) 0.4375(16) 0.5384(8) 0.070(7) Uani 1 1 d .
C74 C 0.7959(8) 0.459(2) 0.4943(7) 0.084(8) Uani 1 1 d .
C75 C 0.7670(10) 0.507(2) 0.4802(9) 0.100(10) Uani 1 1 d .
H75 H 0.7608 0.5570 0.4916 0.120 Uiso 1 1 calc R
C76 C 0.7466(9) 0.484(3) 0.4494(10) 0.120(14) Uani 1 1 d .
H76 H 0.7274 0.5201 0.4397 0.144 Uiso 1 1 calc R
C77 C 0.7535(11) 0.403(3) 0.4304(8) 0.119(13) Uani 1 1 d .
H77 H 0.7386 0.3857 0.4103 0.143 Uiso 1 1 calc R
C78 C 0.7846(10) 0.358(2) 0.4459(9) 0.103(10) Uani 1 1 d .
H78 H 0.7914 0.3073 0.4353 0.123 Uiso 1 1 calc R
C79 C 0.8064(8) 0.384(2) 0.4772(8) 0.092(9) Uani 1 1 d .
C80 C 0.8556(7) 0.3580(18) 0.5206(7) 0.073(7) Uani 1 1 d .
C81 C 0.9984(7) 0.2974(18) 0.6266(7) 0.071(7) Uani 1 1 d .
C82 C 1.0593(9) 0.239(2) 0.6385(8) 0.102(11) Uani 1 1 d .
C83 C 1.0939(10) 0.231(4) 0.6604(10) 0.15(2) Uani 1 1 d .
H83 H 1.0945 0.2519 0.6840 0.182 Uiso 1 1 calc R
C84 C 1.1254(17) 0.194(5) 0.6478(13) 0.27(5) Uani 1 1 d .
H84 H 1.1502 0.1999 0.6593 0.324 Uiso 1 1 calc R
C85 C 1.1210(19) 0.148(6) 0.6178(18) 0.31(6) Uani 1 1 d .
H85 H 1.1412 0.1104 0.6128 0.372 Uiso 1 1 calc R
C86 C 1.0901(18) 0.151(6) 0.5948(17) 0.29(5) Uani 1 1 d .
H86 H 1.0912 0.1264 0.5720 0.343 Uiso 1 1 calc R
C87 C 1.0551(11) 0.193(3) 0.6059(9) 0.134(17) Uani 1 1 d .
C88 C 0.9957(7) 0.2567(17) 0.5915(7) 0.071(7) Uani 1 1 d .
C89 C 0.8793(8) 0.342(2) 0.6660(9) 0.084(8) Uani 1 1 d .
C90 C 0.8639(8) 0.2820(19) 0.7201(9) 0.081(8) Uani 1 1 d .
C91 C 0.8600(11) 0.285(3) 0.7569(10) 0.103(12) Uani 1 1 d .
H91 H 0.8592 0.3402 0.7650 0.124 Uiso 1 1 calc R
C92 C 0.8574(18) 0.238(6) 0.781(2) 0.21(3) Uani 1 1 d .
H92 H 0.8579 0.2527 0.8059 0.252 Uiso 1 1 calc R
C93 C 0.8533(10) 0.151(5) 0.7663(12) 0.19(3) Uani 1 1 d .
H93 H 0.8484 0.1084 0.7827 0.223 Uiso 1 1 calc R
C94 C 0.8565(8) 0.127(2) 0.7269(10) 0.107(11) Uani 1 1 d .
H94 H 0.8538 0.0737 0.7179 0.128 Uiso 1 1 calc R
C95 C 0.8646(7) 0.203(3) 0.7041(9) 0.098(12) Uani 1 1 d .
C96 C 0.8755(7) 0.2563(18) 0.6489(8) 0.073(7) Uani 1 1 d .
C97 C 0.9613(11) 0.128(2) 0.4419(10) 0.107(10) Uiso 1 1 d .
C98 C 0.9745(12) 0.254(3) 0.4785(12) 0.145(15) Uiso 1 1 d D
C99 C 0.9336(10) 0.140(2) 0.5046(9) 0.100(9) Uiso 1 1 d .
C100 C 0.9082(13) 0.228(4) 0.4565(18) 0.22(3) Uiso 1 1 d D
C101 C 0.7402(13) 0.016(3) 0.4920(11) 0.129(13) Uiso 1 1 d .
C102 C 0.7757(9) -0.023(2) 0.5456(8) 0.094(9) Uiso 1 1 d .
C103 C 0.7036(14) -0.041(3) 0.5419(12) 0.142(15) Uiso 1 1 d .
C104 C 0.7310(15) 0.098(3) 0.5480(13) 0.150(16) Uiso 1 1 d .
C105 C 0.7584(11) 0.047(2) 0.7346(9) 0.107(10) Uiso 1 1 d .
C106 C 0.7575(9) 0.1968(19) 0.7161(8) 0.084(8) Uiso 1 1 d .
C107 C 0.7318(11) 0.152(2) 0.7773(10) 0.109(10) Uiso 1 1 d .
C108 C 0.6945(9) 0.1188(19) 0.7217(8) 0.085(8) Uiso 1 1 d .
C109 C 0.7602(12) 0.300(3) 0.5578(11) 0.120(12) Uiso 1 1 d .
C110 C 0.7853(11) 0.357(2) 0.6139(10) 0.114(11) Uiso 1 1 d .
C111 C 0.7179(12) 0.400(3) 0.5943(11) 0.121(12) Uiso 1 1 d .
C112 C 0.7307(9) 0.2611(19) 0.6153(8) 0.087(8) Uiso 1 1 d .
C113 C 0.7452(16) 0.812(4) 0.6227(14) 0.20(3) Uani 1 1 d .
C114 C 0.7524(17) 0.832(3) 0.6818(15) 0.18(2) Uani 1 1 d .
C115 C 0.7821(15) 0.698(3) 0.6615(15) 0.17(2) Uani 1 1 d .
C116 C 0.8122(11) 0.844(5) 0.6472(13) 0.19(3) Uani 1 1 d .
C117 C 0.9060(13) 0.965(3) 0.6277(11) 0.135(13) Uiso 1 1 d .
C118 C 0.9783(14) 0.951(3) 0.6238(12) 0.144(15) Uiso 1 1 d .
C119 C 0.943(2) 1.020(5) 0.584(2) 0.22(3) Uiso 1 1 d .
C120 C 0.9505(15) 1.083(3) 0.6402(13) 0.152(16) Uiso 1 1 d .
C121 C 0.7083(18) 0.681(5) 0.7476(19) 0.25(3) Uiso 1 1 d D
C122 C 0.670(2) 0.540(4) 0.753(2) 0.27(4) Uiso 1 1 d D
C123 C 0.640(3) 0.656(5) 0.7234(15) 0.28(4) Uiso 1 1 d D
C124 C 0.6539(17) 0.684(4) 0.7878(13) 0.20(2) Uiso 1 1 d D
C125 C 0.6192(14) 0.480(3) 0.5920(14) 0.200 Uiso 1 1 d D
C126 C 0.6076(16) 0.624(3) 0.6164(14) 0.200 Uiso 1 1 d D
C127 C 0.5498(12) 0.542(4) 0.5960(13) 0.200 Uiso 1 1 d D
C128 C 0.5798(16) 0.484(3) 0.6517(11) 0.200 Uiso 1 1 d D
C129 C 0.4954(15) 0.2485(19) 0.7145(13) 0.156(16) Uiso 1 1 d D
C130 C 0.5157(14) 0.349(3) 0.7682(12) 0.140(14) Uiso 1 1 d .
C131 C 0.5182(15) 0.383(3) 0.7033(13) 0.18(2) Uiso 1 1 d D
C132 C 0.4542(15) 0.394(4) 0.7217(19) 0.22(3) Uiso 1 1 d D
C133 C 0.5211(17) 0.733(4) 0.5399(14) 0.21(2) Uiso 1 1 d D
C134 C 0.5184(18) 0.766(3) 0.4753(12) 0.21(2) Uiso 1 1 d D
C135 C 0.4584(14) 0.722(5) 0.515(2) 0.24(3) Uiso 1 1 d D
C136 C 0.4856(13) 0.8557(18) 0.5201(11) 0.131(13) Uiso 1 1 d D
C137 C 0.1109(10) 0.414(2) 0.5173(9) 0.105(10) Uiso 1 1 d .
C138 C 0.0767(10) 0.417(2) 0.5769(9) 0.105(10) Uiso 1 1 d .
C139 C 0.0394(12) 0.383(3) 0.5199(11) 0.124(12) Uiso 1 1 d .
C140 C 0.0628(11) 0.521(2) 0.5308(10) 0.111(11) Uiso 1 1 d .
C141 C 0.0365(12) 0.636(3) 0.7433(11) 0.122(12) Uiso 1 1 d .
C142 C 0.0346(11) 0.766(2) 0.7831(10) 0.116(11) Uiso 1 1 d .
C143 C 0.0213(14) 0.771(3) 0.7170(12) 0.138(14) Uiso 1 1 d .
C144 C -0.0283(10) 0.697(2) 0.7567(9) 0.096(9) Uiso 1 1 d .
N1 N 0.6042(6) 1.2456(14) 0.7387(6) 0.074(6) Uani 1 1 d .
N1C N 0.9504(10) 0.185(2) 0.4737(9) 0.128(10) Uiso 1 1 d D
N2 N 0.6674(7) 1.3396(16) 0.7105(9) 0.101(9) Uani 1 1 d .
N2C N 0.7365(7) 0.0084(15) 0.5315(6) 0.080(6) Uiso 1 1 d .
N3 N 0.4721(6) 1.1797(13) 0.6284(6) 0.070(5) Uani 1 1 d .
N3C N 0.7349(7) 0.1263(15) 0.7372(6) 0.084(6) Uiso 1 1 d .
N4 N 0.4912(7) 1.3459(14) 0.6101(7) 0.084(6) Uani 1 1 d .
N4C N 0.7490(6) 0.3307(13) 0.5954(6) 0.072(5) Uiso 1 1 d .
N5 N 0.5170(5) 0.7157(12) 0.6512(5) 0.059(5) Uani 1 1 d .
N5C N 0.7746(7) 0.793(2) 0.6534(8) 0.111(9) Uani 1 1 d .
N6 N 0.4856(6) 0.8725(12) 0.6289(6) 0.067(5) Uani 1 1 d .
N6C N 0.9420(8) 1.0017(16) 0.6200(7) 0.092(7) Uiso 1 1 d .
N7 N 0.6224(5) 1.0030(12) 0.7653(5) 0.060(5) Uani 1 1 d .
N7C N 0.6713(16) 0.639(4) 0.7487(16) 0.26(3) Uiso 1 1 d D
N8 N 0.6844(6) 0.8831(13) 0.7578(6) 0.067(5) Uani 1 1 d .
N8C N 0.5980(11) 0.535(3) 0.6178(10) 0.23(2) Uiso 1 1 d D
N9 N 0.6164(6) 0.8402(12) 0.5330(6) 0.068(5) Uani 1 1 d .
N9C N 0.4907(8) 0.3438(17) 0.7305(7) 0.102(8) Uiso 1 1 d D
N10 N 0.6745(6) 0.7388(15) 0.5702(7) 0.083(7) Uani 1 1 d .
N10C N 0.4956(7) 0.7619(14) 0.5120(6) 0.084(6) Uiso 1 1 d D
N11 N 0.6666(6) 1.2612(16) 0.5172(7) 0.087(7) Uani 1 1 d .
N11C N 0.0730(7) 0.4321(14) 0.5375(6) 0.077(6) Uiso 1 1 d .
N12 N 0.6185(6) 1.1129(15) 0.5055(6) 0.079(6) Uani 1 1 d .
N12C N 0.0151(8) 0.7102(17) 0.7521(7) 0.095(7) Uiso 1 1 d .
N13 N 1.0841(7) 0.688(2) 0.6230(7) 0.102(9) Uani 1 1 d .
N14 N 1.0614(7) 0.5446(18) 0.6593(7) 0.092(7) Uani 1 1 d .
N15 N 0.9030(9) 0.836(2) 0.5306(7) 0.118(11) Uani 1 1 d .
N16 N 0.8409(8) 0.7273(16) 0.5564(7) 0.094(8) Uani 1 1 d .
N17 N 0.8998(6) 0.8227(12) 0.7065(6) 0.070(5) Uani 1 1 d .
N18 N 0.8713(6) 0.6563(14) 0.7117(6) 0.075(6) Uani 1 1 d .
N19 N 0.8147(6) 0.4827(14) 0.5261(6) 0.073(6) Uani 1 1 d .
N20 N 0.8366(6) 0.3317(15) 0.4910(6) 0.079(6) Uani 1 1 d .
N21 N 1.0287(6) 0.2921(15) 0.6490(6) 0.081(6) Uani 1 1 d .
N22 N 1.0236(7) 0.2009(18) 0.5823(7) 0.099(8) Uani 1 1 d .
N23 N 0.8723(7) 0.3497(17) 0.7011(7) 0.091(7) Uani 1 1 d .
N24 N 0.8681(6) 0.1875(15) 0.6665(7) 0.081(6) Uani 1 1 d .
O1 O 0.5870(5) 1.2099(10) 0.6800(5) 0.076(5) Uani 1 1 d .
O1C O 0.6107(4) 1.0524(9) 0.6345(4) 0.057(4) Uani 1 1 d .
O2 O 0.6416(5) 1.3034(12) 0.6529(6) 0.087(6) Uani 1 1 d .
O2C O 0.6695(4) 0.9891(10) 0.6380(5) 0.073(5) Uani 1 1 d .
O3 O 0.5377(4) 1.1519(10) 0.6206(5) 0.066(4) Uani 1 1 d .
O3C O 0.6657(4) 1.1247(10) 0.6246(5) 0.069(4) Uani 1 1 d .
O4 O 0.5544(6) 1.3060(10) 0.6044(5) 0.083(5) Uani 1 1 d .
O4C O 0.9597(5) 0.4602(11) 0.5554(5) 0.074(4) Uani 1 1 d .
O5 O 0.5745(5) 0.7822(10) 0.6663(5) 0.072(4) Uani 1 1 d .
O5C O 0.9745(5) 0.5912(10) 0.5669(5) 0.071(4) Uani 1 1 d .
O6 O 0.5461(4) 0.9273(9) 0.6464(4) 0.064(4) Uani 1 1 d .
O6C O 0.9357(4) 0.5189(10) 0.6044(4) 0.063(4) Uani 1 1 d .
O7 O 0.6002(5) 0.9634(11) 0.7078(5) 0.074(5) Uani 1 1 d .
O8 O 0.6585(5) 0.8568(10) 0.7009(5) 0.069(4) Uani 1 1 d .
O9 O 0.6008(5) 0.8872(10) 0.5904(6) 0.086(6) Uani 1 1 d .
O10 O 0.6527(5) 0.7948(9) 0.6238(5) 0.066(4) Uani 1 1 d .
O11 O 0.6375(5) 1.2718(12) 0.5712(5) 0.082(5) Uani 1 1 d .
O12 O 0.5942(5) 1.1354(11) 0.5610(5) 0.077(5) Uani 1 1 d .
O13 O 1.0180(5) 0.7261(12) 0.6193(5) 0.081(5) Uani 1 1 d .
O14 O 0.9986(5) 0.5930(11) 0.6554(5) 0.081(5) Uani 1 1 d .
O15 O 0.9446(6) 0.7787(13) 0.5751(5) 0.089(6) Uani 1 1 d .
O16 O 0.8850(5) 0.6824(11) 0.6004(7) 0.092(6) Uani 1 1 d .
O17 O 0.9398(5) 0.7747(11) 0.6615(4) 0.069(4) Uani 1 1 d .
O18 O 0.9129(4) 0.6212(10) 0.6675(5) 0.067(4) Uani 1 1 d .
O19 O 0.8629(5) 0.4554(10) 0.5693(4) 0.069(4) Uani 1 1 d .
O20 O 0.8850(5) 0.3171(11) 0.5351(5) 0.081(5) Uani 1 1 d .
O21 O 0.9685(5) 0.3462(11) 0.6342(4) 0.074(5) Uani 1 1 d .
O22 O 0.9644(4) 0.2686(10) 0.5716(5) 0.072(5) Uani 1 1 d .
O23 O 0.8864(5) 0.3999(11) 0.6455(5) 0.076(5) Uani 1 1 d .
O24 O 0.8819(5) 0.2529(12) 0.6134(6) 0.085(5) Uani 1 1 d .
O1W O 0.4692(12) 1.054(2) 0.7164(9) 0.183(14) Uani 1 1 d .
O2W O 0.5577(5) 1.1114(11) 0.7596(5) 0.077(5) Uani 1 1 d .
O3W O 0.4728(5) 1.0439(14) 0.5533(5) 0.096(6) Uani 1 1 d .
O4W O 0.5714(5) 0.9717(11) 0.5080(5) 0.079(5) Uani 1 1 d .
O5W O 0.952(4) 0.487(3) 0.759(4) 0.37(9) Uani 0.50 1 d P
O6W O 1.0308(6) 0.4177(12) 0.7007(5) 0.089(5) Uani 1 1 d .
O7W O 0.812(3) 0.522(4) 0.6730(16) 0.23(5) Uani 0.50 1 d P
O8W O 0.7920(6) 0.6005(15) 0.5782(6) 0.109(7) Uani 1 1 d .
O9W O 0.8887(17) 0.141(4) 0.3700(16) 0.139(18) Uiso 0.50 1 d P
O10W O 0.8119(8) 0.1022(16) 0.6230(7) 0.123(8) Uiso 1 1 d .
O11W O 0.8464(11) 0.144(2) 0.5593(9) 0.171(12) Uiso 1 1 d .
O12W O 0.8271(16) 0.103(3) 0.4215(14) 0.25(2) Uiso 1 1 d .
O13W O 0.8201(9) 0.158(2) 0.4924(8) 0.146(10) Uiso 1 1 d .
O14W O 0.7352(11) 0.413(2) 0.6895(10) 0.086(10) Uiso 0.50 1 d P
O15W O 0.7049(16) 0.496(4) 0.6750(14) 0.131(17) Uiso 0.50 1 d P
O16W O 0.7145(7) 0.5979(16) 0.5994(7) 0.116(7) Uiso 1 1 d .
O19W O 0.7510(9) 1.008(2) 0.6424(8) 0.152(10) Uiso 1 1 d .
O20W O 0.4850(6) 0.1064(13) 0.7897(5) 0.091(5) Uiso 1 1 d .
O21W O 0.4410(8) 0.0188(17) 0.6228(7) 0.126(8) Uiso 1 1 d .
O22W O 0.3944(13) 1.009(3) 0.6829(12) 0.219(17) Uiso 1 1 d .
O23W O 0.0428(6) 0.4421(14) 0.7731(6) 0.101(6) Uiso 1 1 d .
O24W O 1.0343(14) 0.091(3) 0.5170(12) 0.109(13) Uiso 0.50 1 d P
O29W O 0.728(3) 0.941(5) 0.3871(19) 0.21(4) Uiso 0.62(10) 1 d P
O30W O 0.758(3) 0.976(5) 0.3959(19) 0.13(4) Uiso 0.38(10) 1 d P
O27W O 0.603(2) 0.580(4) 0.5013(18) 0.17(2) Uiso 0.50 1 d P
O25W O 0.7564(15) 0.774(3) 0.8764(11) 0.128(17) Uiso 0.69(7) 1 d P
O26W O 0.7821(19) 0.796(3) 0.8886(15) 0.07(2) Uiso 0.31(7) 1 d P
O28W O 0.5223(18) 0.524(4) 0.5019(17) 0.16(2) Uiso 0.50 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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
O1 C1 N1 123(2) . .
O1 C1 C8 116(3) . .
N1 C1 C8 121(3) . .
O3C C1O O1C 120(2) . .
O3C C1O O2C 121(2) . .
O1C C1O O2C 119(2) . .
O3C C1O Gd1 58.3(12) . .
O1C C1O Gd1 61.4(12) . .
O2C C1O Gd1 177.3(16) . .
O3C C1O Gd2 177.1(19) . .
O1C C1O Gd2 63.3(11) . .
O2C C1O Gd2 56.0(11) . .
Gd1 C1O Gd2 124.6(9) . .
C7 C2 C3 117(3) . .
C7 C2 N1 125(3) . .
C3 C2 N1 118(3) . .
O4C C2O O5C 122(2) . .
O4C C2O O6C 119(3) . .
O5C C2O O6C 119(2) . .
O4C C2O Gd4 56.3(16) . .
O5C C2O Gd4 177.5(18) . .
O6C C2O Gd4 62.8(15) . .
O4C C2O Gd3 179(2) . .
O5C C2O Gd3 56.6(13) . .
O6C C2O Gd3 62.3(13) . .
Gd4 C2O Gd3 125.0(9) . .
C4 C3 C2 123(4) . .
C4 C3 H3 118.6 . .
C2 C3 H3 118.6 . .
C5 C4 C3 119(5) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
C4 C5 C6 123(4) . .
C4 C5 H5 118.3 . .
C6 C5 H5 118.3 . .
C7 C6 C5 107(4) . .
C7 C6 H6 126.7 . .
C5 C6 H6 126.7 . .
C2 C7 C6 130(4) . .
C2 C7 N2 122(3) . .
C6 C7 N2 107(3) . .
O2 C8 N2 122(3) . .
O2 C8 C1 117(3) . .
N2 C8 C1 121(3) . .
O3 C9 N3 123(2) . .
O3 C9 C16 114(2) . .
N3 C9 C16 123(2) . .
O3 C9 K1 49.0(13) . .
N3 C9 K1 89.3(16) . .
C16 C9 K1 132.3(17) . .
C15 C10 C11 120(3) . .
C15 C10 N3 122(2) . .
C11 C10 N3 117(3) . .
C10 C11 C12 122(4) . .
C10 C11 H11 119.0 . .
C12 C11 H11 119.0 . .
C11 C12 C13 117(3) . .
C11 C12 H12 121.7 . .
C13 C12 H12 121.7 . .
C14 C13 C12 121(3) . .
C14 C13 H13 119.7 . .
C12 C13 H13 119.7 . .
C13 C14 C15 122(3) . .
C13 C14 H14 118.9 . .
C15 C14 H14 118.9 . .
C10 C15 C14 118(3) . .
C10 C15 N4 120(2) . .
C14 C15 N4 122(3) . .
O4 C16 N4 123(3) . .
O4 C16 C9 119(2) . .
N4 C16 C9 118(3) . .
O5 C17 N5 125(2) . .
O5 C17 C24 115(2) . .
N5 C17 C24 119.6(19) . .
C23 C18 N5 121(2) . .
C23 C18 C19 119(2) . .
N5 C18 C19 120(2) . .
C20 C19 C18 121(3) . .
C20 C19 H19 119.7 . .
C18 C19 H19 119.7 . .
C19 C20 C21 120(3) . .
C19 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
C20 C21 C22 120(3) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C23 C22 C21 120(2) . .
C23 C22 H22 120.2 . .
C21 C22 H22 120.2 . .
C22 C23 C18 120(2) . .
C22 C23 N6 118(2) . .
C18 C23 N6 121(2) . .
O6 C24 N6 122(2) . .
O6 C24 C17 115.6(18) . .
N6 C24 C17 122(2) . .
O6 C24 K2 52.8(11) . .
N6 C24 K2 86.7(13) . .
C17 C24 K2 136.2(14) . .
O8 C25 N8 123(2) . .
O8 C25 C32 116(2) . .
N8 C25 C32 121(2) . .
C27 C26 C31 120(2) . .
C27 C26 N8 119(2) . .
C31 C26 N8 121(2) . .
C28 C27 C26 121(2) . .
C28 C27 H27 119.6 . .
C26 C27 H27 119.6 . .
C27 C28 C29 119(2) . .
C27 C28 H28 120.5 . .
C29 C28 H28 120.5 . .
C30 C29 C28 119(3) . .
C30 C29 H29 120.7 . .
C28 C29 H29 120.7 . .
C29 C30 C31 124(3) . .
C29 C30 H30 117.9 . .
C31 C30 H30 117.9 . .
N7 C31 C30 122(2) . .
N7 C31 C26 121(2) . .
C30 C31 C26 117(2) . .
O7 C32 N7 123(2) . .
O7 C32 C25 116(2) . .
N7 C32 C25 121(2) . .
O9 C33 N9 124(2) . .
O9 C33 C40 114(2) . .
N9 C33 C40 122(2) . .
C39 C34 N9 123(3) . .
C39 C34 C35 119(3) . .
N9 C34 C35 118(3) . .
C36 C35 C34 120(3) . .
C36 C35 H35 120.1 . .
C34 C35 H35 120.1 . .
C35 C36 C37 122(3) . .
C35 C36 H36 118.9 . .
C37 C36 H36 118.9 . .
C38 C37 C36 118(3) . .
C38 C37 H37 121.2 . .
C36 C37 H37 121.2 . .
C37 C38 C39 122(4) . .
C37 C38 H38 119.0 . .
C39 C38 H38 119.0 . .
C34 C39 C38 119(3) . .
C34 C39 N10 121(2) . .
C38 C39 N10 120(3) . .
O10 C40 N10 124(2) . .
O10 C40 C33 116(2) . .
N10 C40 C33 119(3) . .
O12 C41 N12 122(3) . .
O12 C41 C48 117(2) . .
N12 C41 C48 121(2) . .
N12 C42 C43 118(3) . .
N12 C42 C47 123(3) . .
C43 C42 C47 119(3) . .
C44 C43 C42 120(4) . .
C44 C43 H43 120.2 . .
C42 C43 H43 120.2 . .
C45 C44 C43 122(4) . .
C45 C44 H44 118.8 . .
C43 C44 H44 118.8 . .
C44 C45 C46 121(4) . .
C44 C45 H45 119.5 . .
C46 C45 H45 119.5 . .
C47 C46 C45 118(4) . .
C47 C46 H46 121.2 . .
C45 C46 H46 121.2 . .
C46 C47 C42 120(3) . .
C46 C47 N11 119(3) . .
C42 C47 N11 121(2) . .
O11 C48 N11 117(3) . .
O11 C48 C41 118(2) . .
N11 C48 C41 124(3) . .
N13 C49 O13 123(3) . .
N13 C49 C56 121(3) . .
O13 C49 C56 116(3) . .
N13 C50 C55 121(3) . .
N13 C50 C51 111(4) . .
C55 C50 C51 127(4) . .
C50 C51 C52 106(4) . .
C50 C51 H51 127.1 . .
C52 C51 H51 127.1 . .
C53 C52 C51 123(5) . .
C53 C52 H52 118.5 . .
C51 C52 H52 118.5 . .
C52 C53 C54 124(5) . .
C52 C53 H53 118.1 . .
C54 C53 H53 118.1 . .
C53 C54 C55 119(5) . .
C53 C54 H54 120.3 . .
C55 C54 H54 120.3 . .
C50 C55 N14 120(3) . .
C50 C55 C54 120(3) . .
N14 C55 C54 120(4) . .
O14 C56 N14 119(3) . .
O14 C56 C49 120(3) . .
N14 C56 C49 121(3) . .
O15 C57 N15 118(3) . .
O15 C57 C64 121(3) . .
N15 C57 C64 120(3) . .
C63 C58 N15 125(3) . .
C63 C58 C59 120(5) . .
N15 C58 C59 115(6) . .
C60 C59 C58 117(8) . .
C60 C59 H59 121.4 . .
C58 C59 H59 121.4 . .
C59 C60 C61 124(6) . .
C59 C60 H60 118.2 . .
C61 C60 H60 118.2 . .
C62 C61 C60 116(4) . .
C62 C61 H61 122.1 . .
C60 C61 H61 122.1 . .
C61 C62 C63 123(5) . .
C61 C62 H62 118.5 . .
C63 C62 H62 118.5 . .
C58 C63 C62 120(4) . .
C58 C63 N16 122(3) . .
C62 C63 N16 118(4) . .
N16 C64 O16 118(3) . .
N16 C64 C57 125(3) . .
O16 C64 C57 117(3) . .
O17 C65 N17 121(2) . .
O17 C65 C72 118(2) . .
N17 C65 C72 120(3) . .
C67 C66 N17 121(3) . .
C67 C66 C71 121(3) . .
N17 C66 C71 118(2) . .
C68 C67 C66 124(4) . .
C68 C67 H67 118.0 . .
C66 C67 H67 118.0 . .
C67 C68 C69 117(4) . .
C67 C68 H68 121.5 . .
C69 C68 H68 121.5 . .
C70 C69 C68 122(4) . .
C70 C69 H69 119.0 . .
C68 C69 H69 119.0 . .
C69 C70 C71 119(4) . .
C69 C70 H70 120.5 . .
C71 C70 H70 120.5 . .
N18 C71 C66 125(3) . .
N18 C71 C70 118(3) . .
C66 C71 C70 117(3) . .
O18 C72 N18 119(2) . .
O18 C72 C65 118(2) . .
N18 C72 C65 123(2) . .
O18 C72 K4 46.5(11) . .
N18 C72 K4 87.2(15) . .
C65 C72 K4 129.8(17) . .
N19 C73 O19 123(2) . .
N19 C73 C80 124(3) . .
O19 C73 C80 114(2) . .
C75 C74 N19 119(3) . .
C75 C74 C79 121(3) . .
N19 C74 C79 120(2) . .
C74 C75 C76 120(3) . .
C74 C75 H75 119.8 . .
C76 C75 H75 119.8 . .
C75 C76 C77 123(3) . .
C75 C76 H76 118.5 . .
C77 C76 H76 118.5 . .
C78 C77 C76 113(3) . .
C78 C77 H77 123.4 . .
C76 C77 H77 123.4 . .
C77 C78 C79 123(3) . .
C77 C78 H78 118.7 . .
C79 C78 H78 118.7 . .
C74 C79 N20 123(3) . .
C74 C79 C78 120(3) . .
N20 C79 C78 118(3) . .
O20 C80 N20 122(3) . .
O20 C80 C73 119(2) . .
N20 C80 C73 119(2) . .
N21 C81 O21 120(2) . .
N21 C81 C88 125(2) . .
O21 C81 C88 115(2) . .
N21 C82 C83 120(3) . .
N21 C82 C87 120(3) . .
C83 C82 C87 120(3) . .
C84 C83 C82 120(4) . .
C84 C83 H83 120.0 . .
C82 C83 H83 120.0 . .
C83 C84 C85 118(5) . .
C83 C84 H84 120.8 . .
C85 C84 H84 120.8 . .
C86 C85 C84 125(6) . .
C86 C85 H85 117.4 . .
C84 C85 H85 117.4 . .
C85 C86 C87 118(5) . .
C85 C86 H86 121.0 . .
C87 C86 H86 121.0 . .
N22 C87 C82 123(3) . .
N22 C87 C86 120(3) . .
C82 C87 C86 116(4) . .
O22 C88 N22 121(2) . .
O22 C88 C81 118(2) . .
N22 C88 C81 120(2) . .
O23 C89 N23 125(3) . .
O23 C89 C96 117(3) . .
N23 C89 C96 118(3) . .
O23 C89 K3 55.6(15) . .
N23 C89 K3 88(2) . .
C96 C89 K3 134.1(16) . .
N23 C90 C91 121(3) . .
N23 C90 C95 121(3) . .
C91 C90 C95 117(3) . .
C92 C91 C90 138(6) . .
C92 C91 H91 111.0 . .
C90 C91 H91 111.0 . .
C91 C92 C93 109(7) . .
C91 C92 H92 125.6 . .
C93 C92 H92 125.6 . .
C94 C93 C92 125(5) . .
C94 C93 H93 117.4 . .
C92 C93 H93 117.4 . .
C95 C94 C93 111(4) . .
C95 C94 H94 124.6 . .
C93 C94 H94 124.6 . .
C90 C95 N24 125(3) . .
C90 C95 C94 119(3) . .
N24 C95 C94 115(4) . .
N24 C96 O24 119(3) . .
N24 C96 C89 125(3) . .
O24 C96 C89 115(2) . .
N9C C129 K1 157(3) . 1_545
C1 N1 C2 117(2) . .
C98 N1C C99 122(3) . .
C98 N1C C97 115(3) . .
C99 N1C C97 113(3) . .
C98 N1C C100 102(3) . .
C99 N1C C100 99(3) . .
C97 N1C C100 100(3) . .
C8 N2 C7 114(3) . .
C103 N2C C101 114(3) . .
C103 N2C C102 113(3) . .
C101 N2C C102 106(2) . .
C103 N2C C104 108(3) . .
C101 N2C C104 108(3) . .
C102 N2C C104 107(3) . .
C9 N3 C10 116(2) . .
C108 N3C C105 113(2) . .
C108 N3C C107 108(2) . .
C105 N3C C107 110(2) . .
C108 N3C C106 109(2) . .
C105 N3C C106 109(2) . .
C107 N3C C106 109(2) . .
C16 N4 C15 120(2) . .
C110 N4C C112 110(2) . .
C110 N4C C109 107(3) . .
C112 N4C C109 109(2) . .
C110 N4C C111 111(3) . .
C112 N4C C111 106(2) . .
C109 N4C C111 113(3) . .
C17 N5 C18 119(2) . .
C114 N5C C113 97(4) . .
C114 N5C C116 109(4) . .
C113 N5C C116 108(4) . .
C114 N5C C115 112(4) . .
C113 N5C C115 116(4) . .
C116 N5C C115 115(4) . .
C24 N6 C23 116(2) . .
C119 N6C C117 109(4) . .
C119 N6C C118 100(4) . .
C117 N6C C118 118(3) . .
C119 N6C C120 106(4) . .
C117 N6C C120 115(3) . .
C118 N6C C120 107(3) . .
C32 N7 C31 119(2) . .
C123 N7C C121 121(8) . .
C123 N7C C122 103(3) . .
C121 N7C C122 121(6) . .
C123 N7C C124 102(3) . .
C121 N7C C124 98(3) . .
C122 N7C C124 109(6) . .
C25 N8 C26 117(2) . .
C126 N8C C125 117(2) . .
C126 N8C C128 127(3) . .
C125 N8C C128 112(2) . .
C126 N8C C127 97(2) . .
C125 N8C C127 101(2) . .
C128 N8C C127 91(2) . .
C33 N9 C34 115(2) . .
C132 N9C C131 98(4) . .
C132 N9C C130 124(4) . .
C131 N9C C130 104(3) . .
C132 N9C C129 121(4) . .
C131 N9C C129 95(2) . .
C130 N9C C129 108(3) . .
C40 N10 C39 119(2) . .
C133 N10C C135 108(5) . .
C133 N10C C136 108(4) . .
C135 N10C C136 103(4) . .
C133 N10C C134 110(4) . .
C135 N10C C134 123(4) . .
C136 N10C C134 103.2(19) . .
C48 N11 C47 114(3) . .
C138 N11C C140 110(2) . .
C138 N11C C139 112(3) . .
C140 N11C C139 106(3) . .
C138 N11C C137 114(2) . .
C140 N11C C137 107(2) . .
C139 N11C C137 108(2) . .
C41 N12 C42 117(3) . .
C141 N12C C144 114(3) . .
C141 N12C C142 116(3) . .
C144 N12C C142 113(2) . .
C141 N12C C143 104(3) . .
C144 N12C C143 109(3) . .
C142 N12C C143 100(3) . .
C49 N13 C50 119(3) . .
C56 N14 C55 118(3) . .
C57 N15 C58 114(3) . .
C64 N16 C63 113(3) . .
C65 N17 C66 119(2) . .
C72 N18 C71 115(2) . .
C73 N19 C74 118(2) . .
C80 N20 C79 116(2) . .
C81 N21 C82 116(2) . .
C88 N22 C87 116(3) . .
C89 N23 C90 119(3) . .
C96 N24 C95 111(3) . .
C1 O1 Gd1 120.9(18) . .
C1 O1 K1 131.8(18) . .
Gd1 O1 K1 100.1(5) . .
C1O O1C Gd1 91.9(13) . .
C1O O1C Gd2 90.2(13) . .
Gd1 O1C Gd2 177.6(7) . .
C1O O1C K1 142.1(13) . .
Gd1 O1C K1 89.7(4) . .
Gd2 O1C K1 88.0(4) . .
C1O O1C K2 133.0(13) . .
Gd1 O1C K2 89.7(4) . .
Gd2 O1C K2 89.7(4) . .
K1 O1C K2 84.8(4) . .
C8 O2 Gd1 117.5(16) . .
C1O O2C Gd2 97.7(13) . .
C9 O3 Gd1 119.9(15) . .
C9 O3 K1 110.3(16) . .
Gd1 O3 K1 98.3(5) . .
C9 O3 K2 129.1(14) . .
Gd1 O3 K2 98.6(5) . .
K1 O3 K2 94.0(5) . .
C1O O3C Gd1 95.2(14) . .
C16 O4 Gd1 118.4(17) . .
C2O O4C Gd4 98.4(17) . .
C17 O5 Gd2 118.3(15) . .
C2O O5C Gd3 97.3(14) . .
C24 O6 Gd2 116.6(13) . .
C24 O6 K1 136.1(14) . .
Gd2 O6 K1 98.7(5) . .
C24 O6 K2 105.4(13) . .
Gd2 O6 K2 98.5(5) . .
K1 O6 K2 93.4(5) . .
C2O O6C Gd4 89.6(17) . .
C2O O6C Gd3 90.3(17) . .
Gd4 O6C Gd3 178.6(7) . .
C2O O6C K3 133.8(14) . .
Gd4 O6C K3 90.7(5) . .
Gd3 O6C K3 90.5(5) . .
C2O O6C K4 139.6(14) . .
Gd4 O6C K4 89.4(5) . .
Gd3 O6C K4 89.7(5) . .
K3 O6C K4 86.6(5) . .
C32 O7 Gd2 119.4(14) . .
C32 O7 K1 136.6(15) . .
Gd2 O7 K1 100.6(6) . .
C25 O8 Gd2 119.5(14) . .
C33 O9 Gd2 122.4(16) . .
C33 O9 K2 134.9(17) . .
Gd2 O9 K2 101.9(6) . .
C40 O10 Gd2 120.1(13) . .
C48 O11 Gd1 116.4(17) . .
C41 O12 Gd1 117.8(17) . .
C41 O12 K2 140.3(18) . .
Gd1 O12 K2 100.4(6) . .
C49 O13 Gd3 115.5(17) . .
C56 O14 Gd3 115.9(16) . .
C56 O14 K3 137.7(17) . .
Gd3 O14 K3 101.0(6) . .
C57 O15 Gd3 114(2) . .
C64 O16 Gd3 116.1(19) . .
C64 O16 K4 134.9(19) . .
Gd3 O16 K4 102.1(8) . .
C65 O17 Gd3 118.2(16) . .
C72 O18 Gd3 116.0(16) . .
C72 O18 K4 113.5(14) . .
Gd3 O18 K4 97.9(6) . .
C72 O18 K3 133.5(15) . .
Gd3 O18 K3 96.3(5) . .
K4 O18 K3 92.5(5) . .
C73 O19 Gd4 120.0(14) . .
C73 O19 K4 138.3(14) . .
Gd4 O19 K4 100.5(6) . .
C80 O20 Gd4 119.3(17) . .
C81 O21 Gd4 118.9(15) . .
C81 O21 K3 138.7(16) . .
Gd4 O21 K3 99.0(6) . .
C88 O22 Gd4 119.5(15) . .
C89 O23 Gd4 118.3(19) . .
C89 O23 K4 138.3(17) . .
Gd4 O23 K4 97.9(7) . .
C89 O23 K3 103.0(18) . .
Gd4 O23 K3 95.7(6) . .
K4 O23 K3 92.6(6) . .
C96 O24 Gd4 115.4(16) . .
O1 Gd1 O3 74.5(6) . .
O1 Gd1 O11 144.6(6) . .
O3 Gd1 O11 131.0(6) . .
O1 Gd1 O4 89.5(6) . .
O3 Gd1 O4 66.7(6) . .
O11 Gd1 O4 82.2(7) . .
O1 Gd1 O12 147.4(6) . .
O3 Gd1 O12 76.7(6) . .
O11 Gd1 O12 67.8(6) . .
O4 Gd1 O12 93.0(6) . .
O1 Gd1 O2 66.0(6) . .
O3 Gd1 O2 134.2(6) . .
O11 Gd1 O2 79.6(7) . .
O4 Gd1 O2 90.1(7) . .
O12 Gd1 O2 146.4(6) . .
O1 Gd1 O3C 99.0(6) . .
O3 Gd1 O3C 127.8(6) . .
O11 Gd1 O3C 83.5(6) . .
O4 Gd1 O3C 164.7(6) . .
O12 Gd1 O3C 86.7(6) . .
O2 Gd1 O3C 81.9(6) . .
O1 Gd1 O1C 80.7(5) . .
O3 Gd1 O1C 74.7(5) . .
O11 Gd1 O1C 125.5(6) . .
O4 Gd1 O1C 141.4(6) . .
O12 Gd1 O1C 77.2(6) . .
O2 Gd1 O1C 118.6(6) . .
O3C Gd1 O1C 53.3(5) . .
O1 Gd1 C1O 89.7(6) . .
O3 Gd1 C1O 101.3(6) . .
O11 Gd1 C1O 105.2(7) . .
O4 Gd1 C1O 167.8(7) . .
O12 Gd1 C1O 81.2(6) . .
O2 Gd1 C1O 100.7(7) . .
O3C Gd1 C1O 26.5(6) . .
O1C Gd1 C1O 26.8(5) . .
O1 Gd1 K1 43.0(4) . .
O3 Gd1 K1 44.4(4) . .
O11 Gd1 K1 172.4(5) . .
O4 Gd1 K1 99.0(5) . .
O12 Gd1 K1 104.6(4) . .
O2 Gd1 K1 107.9(5) . .
O3C Gd1 K1 95.9(4) . .
O1C Gd1 K1 49.9(3) . .
C1O Gd1 K1 72.4(5) . .
O1 Gd1 K2 105.1(4) . .
O3 Gd1 K2 44.3(4) . .
O11 Gd1 K2 110.1(5) . .
O4 Gd1 K2 98.2(5) . .
O12 Gd1 K2 42.4(4) . .
O2 Gd1 K2 167.9(6) . .
O3C Gd1 K2 91.9(4) . .
O1C Gd1 K2 50.1(3) . .
C1O Gd1 K2 70.3(5) . .
K1 Gd1 K2 62.24(12) . .
O9 Gd2 O10 66.7(5) . .
O9 Gd2 O7 146.8(5) . .
O10 Gd2 O7 146.4(6) . .
O9 Gd2 O8 145.6(5) . .
O10 Gd2 O8 79.3(6) . .
O7 Gd2 O8 67.4(6) . .
O9 Gd2 O6 75.3(6) . .
O10 Gd2 O6 129.2(5) . .
O7 Gd2 O6 76.3(5) . .
O8 Gd2 O6 135.1(6) . .
O9 Gd2 O5 92.7(6) . .
O10 Gd2 O5 82.0(6) . .
O7 Gd2 O5 91.6(6) . .
O8 Gd2 O5 88.0(6) . .
O6 Gd2 O5 67.0(5) . .
O9 Gd2 O2C 88.0(7) . .
O10 Gd2 O2C 84.8(6) . .
O7 Gd2 O2C 95.8(6) . .
O8 Gd2 O2C 83.3(6) . .
O6 Gd2 O2C 127.0(5) . .
O5 Gd2 O2C 165.4(5) . .
O9 Gd2 O1C 79.0(5) . .
O10 Gd2 O1C 126.3(5) . .
O7 Gd2 O1C 77.3(5) . .
O8 Gd2 O1C 119.7(5) . .
O6 Gd2 O1C 74.6(5) . .
O5 Gd2 O1C 141.6(5) . .
O2C Gd2 O1C 52.8(5) . .
O9 Gd2 C1O 83.8(6) . .
O10 Gd2 C1O 106.8(6) . .
O7 Gd2 C1O 85.2(6) . .
O8 Gd2 C1O 101.4(6) . .
O6 Gd2 C1O 101.0(7) . .
O5 Gd2 C1O 168.1(7) . .
O2C Gd2 C1O 26.3(6) . .
O1C Gd2 C1O 26.5(6) . .
O9 Gd2 K1 104.4(3) . .
O10 Gd2 K1 171.1(4) . .
O7 Gd2 K1 42.4(4) . .
O8 Gd2 K1 109.6(4) . .
O6 Gd2 K1 43.9(4) . .
O5 Gd2 K1 97.6(4) . .
O2C Gd2 K1 96.4(4) . .
O1C Gd2 K1 50.2(3) . .
C1O Gd2 K1 72.4(5) . .
O9 Gd2 K2 42.5(3) . .
O10 Gd2 K2 109.2(4) . .
O7 Gd2 K2 104.4(4) . .
O8 Gd2 K2 168.6(4) . .
O6 Gd2 K2 44.9(4) . .
O5 Gd2 K2 100.4(4) . .
O2C Gd2 K2 89.9(4) . .
O1C Gd2 K2 49.3(3) . .
C1O Gd2 K2 69.4(5) . .
K1 Gd2 K2 61.98(12) . .
O17 Gd3 O16 86.7(6) . .
O17 Gd3 O13 85.0(6) . .
O16 Gd3 O13 148.8(7) . .
O17 Gd3 O14 97.1(6) . .
O16 Gd3 O14 144.3(7) . .
O13 Gd3 O14 66.8(6) . .
O17 Gd3 O15 85.0(7) . .
O16 Gd3 O15 69.9(7) . .
O13 Gd3 O15 79.5(7) . .
O14 Gd3 O15 145.8(6) . .
O17 Gd3 O18 67.6(6) . .
O16 Gd3 O18 72.1(7) . .
O13 Gd3 O18 130.8(6) . .
O14 Gd3 O18 76.6(6) . .
O15 Gd3 O18 133.8(6) . .
O17 Gd3 O5C 165.4(6) . .
O16 Gd3 O5C 97.2(7) . .
O13 Gd3 O5C 84.5(6) . .
O14 Gd3 O5C 88.0(6) . .
O15 Gd3 O5C 83.2(6) . .
O18 Gd3 O5C 127.0(6) . .
O17 Gd3 O6C 141.0(5) . .
O16 Gd3 O6C 79.1(5) . .
O13 Gd3 O6C 124.2(6) . .
O14 Gd3 O6C 75.8(6) . .
O15 Gd3 O6C 122.4(6) . .
O18 Gd3 O6C 73.4(5) . .
O5C Gd3 O6C 53.6(5) . .
O17 Gd3 C2O 168.3(7) . .
O16 Gd3 C2O 88.3(7) . .
O13 Gd3 C2O 104.5(7) . .
O14 Gd3 C2O 81.0(7) . .
O15 Gd3 C2O 103.1(8) . .
O18 Gd3 C2O 100.8(7) . .
O5C Gd3 C2O 26.2(6) . .
O6C Gd3 C2O 27.4(7) . .
O17 Gd3 K3 101.9(4) . .
O16 Gd3 K3 102.7(5) . .
O13 Gd3 K3 108.5(5) . .
O14 Gd3 K3 41.7(4) . .
O15 Gd3 K3 169.7(5) . .
O18 Gd3 K3 45.4(4) . .
O5C Gd3 K3 91.0(4) . .
O6C Gd3 K3 47.9(3) . .
C2O Gd3 K3 69.0(6) . .
O17 Gd3 K4 98.2(4) . .
O16 Gd3 K4 41.2(5) . .
O13 Gd3 K4 170.0(5) . .
O14 Gd3 K4 103.4(4) . .
O15 Gd3 K4 110.2(5) . .
O18 Gd3 K4 44.1(4) . .
O5C Gd3 K4 93.8(4) . .
O6C Gd3 K4 48.8(3) . .
C2O Gd3 K4 71.3(6) . .
K3 Gd3 K4 61.64(16) . .
O22 Gd4 O21 67.0(6) . .
O22 Gd4 O20 80.0(6) . .
O21 Gd4 O20 145.8(6) . .
O22 Gd4 O19 145.7(6) . .
O21 Gd4 O19 146.2(6) . .
O20 Gd4 O19 68.0(6) . .
O22 Gd4 O23 133.2(6) . .
O21 Gd4 O23 75.4(6) . .
O20 Gd4 O23 126.5(6) . .
O19 Gd4 O23 78.4(6) . .
O22 Gd4 O24 84.8(6) . .
O21 Gd4 O24 88.4(6) . .
O20 Gd4 O24 79.6(7) . .
O19 Gd4 O24 100.5(6) . .
O23 Gd4 O24 66.8(7) . .
O22 Gd4 O4C 82.4(6) . .
O21 Gd4 O4C 91.7(6) . .
O20 Gd4 O4C 92.6(6) . .
O19 Gd4 O4C 87.1(6) . .
O23 Gd4 O4C 126.6(6) . .
O24 Gd4 O4C 166.1(7) . .
O22 Gd4 O6C 123.3(5) . .
O21 Gd4 O6C 80.0(6) . .
O20 Gd4 O6C 128.2(5) . .
O19 Gd4 O6C 72.4(5) . .
O23 Gd4 O6C 73.7(5) . .
O24 Gd4 O6C 140.5(6) . .
O4C Gd4 O6C 52.9(5) . .
O22 Gd4 C2O 102.8(6) . .
O21 Gd4 C2O 86.1(7) . .
O20 Gd4 C2O 110.7(7) . .
O19 Gd4 C2O 78.6(7) . .
O23 Gd4 C2O 101.4(6) . .
O24 Gd4 C2O 168.0(7) . .
O4C Gd4 C2O 25.3(6) . .
O6C Gd4 C2O 27.7(6) . .
O22 Gd4 K4 170.8(4) . .
O21 Gd4 K4 104.8(4) . .
O20 Gd4 K4 108.7(4) . .
O19 Gd4 K4 41.8(4) . .
O23 Gd4 K4 43.8(4) . .
O24 Gd4 K4 99.4(5) . .
O4C Gd4 K4 94.0(5) . .
O6C Gd4 K4 49.1(3) . .
C2O Gd4 K4 71.8(5) . .
O22 Gd4 K3 109.6(4) . .
O21 Gd4 K3 43.2(4) . .
O20 Gd4 K3 170.4(4) . .
O19 Gd4 K3 102.9(4) . .
O23 Gd4 K3 45.9(4) . .
O24 Gd4 K3 99.6(5) . .
O4C Gd4 K3 90.0(4) . .
O6C Gd4 K3 47.9(3) . .
C2O Gd4 K3 69.2(5) . .
K4 Gd4 K3 61.81(16) . .
O7 K1 O1 101.2(6) . .
O7 K1 O6 66.2(5) . .
O1 K1 O6 130.9(6) . .
O7 K1 O3 128.8(6) . .
O1 K1 O3 63.8(5) . .
O6 K1 O3 87.0(5) . .
O7 K1 O1W 116.9(8) . .
O1 K1 O1W 126.0(8) . .
O6 K1 O1W 100.1(7) . .
O3 K1 O1W 110.0(8) . .
O7 K1 O2W 76.3(5) . .
O1 K1 O2W 78.6(5) . .
O6 K1 O2W 135.1(5) . .
O3 K1 O2W 137.1(5) . .
O1W K1 O2W 75.3(8) . .
O7 K1 O1C 66.5(5) . .
O1 K1 O1C 67.7(5) . .
O6 K1 O1C 63.8(4) . .
O3 K1 O1C 62.5(4) . .
O1W K1 O1C 161.5(7) . .
O2W K1 O1C 122.2(5) . .
O7 K1 C9 149.3(7) . .
O1 K1 C9 66.2(6) . .
O6 K1 C9 100.0(6) . .
O3 K1 C9 20.7(5) . .
O1W K1 C9 91.8(8) . .
O2W K1 C9 124.5(6) . .
O1C K1 C9 82.8(6) . .
O7 K1 C129 140.2(9) . 1_565
O1 K1 C129 65.5(8) . 1_565
O6 K1 C129 151.1(9) . 1_565
O3 K1 C129 80.8(9) . 1_565
O1W K1 C129 60.6(10) . 1_565
O2W K1 C129 64.6(9) . 1_565
O1C K1 C129 129.7(8) . 1_565
C9 K1 C129 62.3(9) . 1_565
O7 K1 Gd2 37.0(4) . .
O1 K1 Gd2 104.3(4) . .
O6 K1 Gd2 37.5(3) . .
O3 K1 Gd2 96.3(4) . .
O1W K1 Gd2 129.3(7) . .
O2W K1 Gd2 113.0(4) . .
O1C K1 Gd2 41.9(3) . .
C9 K1 Gd2 116.3(5) . .
C129 K1 Gd2 169.7(8) 1_565 .
O7 K1 Gd1 100.8(4) . .
O1 K1 Gd1 36.9(4) . .
O6 K1 Gd1 96.5(4) . .
O3 K1 Gd1 37.3(3) . .
O1W K1 Gd1 142.3(7) . .
O2W K1 Gd1 114.5(4) . .
O1C K1 Gd1 40.4(3) . .
C9 K1 Gd1 51.8(5) . .
C129 K1 Gd1 89.6(7) 1_565 .
Gd2 K1 Gd1 82.28(13) . .
O7 K1 K2 96.8(4) . .
O1 K1 K2 95.8(4) . .
O6 K1 K2 44.2(4) . .
O3 K1 K2 43.1(4) . .
O1W K1 K2 114.6(7) . .
O2W K1 K2 169.9(4) . .
O1C K1 K2 47.8(3) . .
C9 K1 K2 59.0(4) . .
C129 K1 K2 120.9(8) 1_565 .
Gd2 K1 K2 59.90(12) . .
Gd1 K1 K2 59.04(13) . .
O12 K2 O3W 108.0(6) . .
O12 K2 O9 100.9(6) . .
O3W K2 O9 143.3(7) . .
O12 K2 O3 66.2(5) . .
O3W K2 O3 85.4(6) . .
O9 K2 O3 127.7(6) . .
O12 K2 O6 127.6(5) . .
O3W K2 O6 112.4(6) . .
O9 K2 O6 62.8(5) . .
O3 K2 O6 85.0(5) . .
O12 K2 O4W 74.7(6) . .
O3W K2 O4W 89.9(6) . .
O9 K2 O4W 76.3(5) . .
O3 K2 O4W 136.8(6) . .
O6 K2 O4W 135.5(5) . .
O12 K2 O1C 65.4(5) . .
O3W K2 O1C 147.1(6) . .
O9 K2 O1C 66.4(5) . .
O3 K2 O1C 62.2(4) . .
O6 K2 O1C 62.5(4) . .
O4W K2 O1C 116.9(5) . .
O12 K2 C24 148.9(6) . .
O3W K2 C24 98.1(6) . .
O9 K2 C24 64.1(5) . .
O3 K2 C24 100.3(6) . .
O6 K2 C24 21.7(5) . .
O4W K2 C24 122.9(6) . .
O1C K2 C24 83.5(5) . .
O12 K2 Gd1 37.2(4) . .
O3W K2 Gd1 114.5(5) . .
O9 K2 Gd1 102.2(5) . .
O3 K2 Gd1 37.1(3) . .
O6 K2 Gd1 94.5(3) . .
O4W K2 Gd1 111.2(4) . .
O1C K2 Gd1 40.2(3) . .
C24 K2 Gd1 115.9(4) . .
O12 K2 Gd2 100.6(4) . .
O3W K2 Gd2 148.5(5) . .
O9 K2 Gd2 35.5(4) . .
O3 K2 Gd2 94.6(4) . .
O6 K2 Gd2 36.7(3) . .
O4W K2 Gd2 110.5(4) . .
O1C K2 Gd2 41.0(3) . .
C24 K2 Gd2 50.8(4) . .
Gd1 K2 Gd2 81.19(10) . .
O12 K2 K1 96.0(4) . .
O3W K2 K1 105.2(5) . .
O9 K2 K1 93.6(5) . .
O3 K2 K1 42.9(4) . .
O6 K2 K1 42.3(3) . .
O4W K2 K1 164.3(4) . .
O1C K2 K1 47.4(3) . .
C24 K2 K1 60.3(4) . .
Gd1 K2 K1 58.72(12) . .
Gd2 K2 K1 58.12(12) . .
O14 K3 O21 104.3(7) . .
O14 K3 O18 66.9(5) . .
O21 K3 O18 132.8(6) . .
O14 K3 O23 130.5(6) . .
O21 K3 O23 65.1(5) . .
O18 K3 O23 85.5(5) . .
O14 K3 O6C 67.3(5) . .
O21 K3 O6C 70.1(5) . .
O18 K3 O6C 63.8(5) . .
O23 K3 O6C 63.7(5) . .
O14 K3 O6W 77.7(6) . .
O21 K3 O6W 75.2(5) . .
O18 K3 O6W 138.6(6) . .
O23 K3 O6W 135.3(6) . .
O6C K3 O6W 121.2(6) . .
O14 K3 O5W 106.8(16) . .
O21 K3 O5W 131.9(12) . .
O18 K3 O5W 93.3(16) . .
O23 K3 O5W 115(2) . .
O6C K3 O5W 157.0(17) . .
O6W K3 O5W 77(2) . .
O14 K3 C89 151.6(7) . .
O21 K3 C89 65.3(7) . .
O18 K3 C89 99.9(6) . .
O23 K3 C89 21.4(6) . .
O6C K3 C89 84.4(6) . .
O6W K3 C89 121.1(7) . .
O5W K3 C89 98.7(19) . .
O14 K3 Gd4 102.7(5) . .
O21 K3 Gd4 37.8(4) . .
O18 K3 Gd4 96.7(4) . .
O23 K3 Gd4 38.5(4) . .
O6C K3 Gd4 41.4(3) . .
O6W K3 Gd4 111.8(4) . .
O5W K3 Gd4 150.4(16) . .
C89 K3 Gd4 52.2(6) . .
O14 K3 Gd3 37.3(4) . .
O21 K3 Gd3 106.7(4) . .
O18 K3 Gd3 38.3(3) . .
O23 K3 Gd3 96.7(4) . .
O6C K3 Gd3 41.6(3) . .
O6W K3 Gd3 114.4(5) . .
O5W K3 Gd3 120.3(10) . .
C89 K3 Gd3 117.6(5) . .
Gd4 K3 Gd3 83.08(14) . .
O14 K3 K4 96.6(4) . .
O21 K3 K4 96.6(4) . .
O18 K3 K4 43.3(4) . .
O23 K3 K4 42.8(4) . .
O6C K3 K4 47.2(3) . .
O6W K3 K4 168.3(5) . .
O5W K3 K4 115(2) . .
C89 K3 K4 60.6(5) . .
Gd4 K3 K4 59.05(16) . .
Gd3 K3 K4 59.34(17) . .
O7W K4 O16 133.4(16) . .
O7W K4 O19 126(2) . .
O16 K4 O19 96.9(7) . .
O7W K4 O23 84.2(15) . .
O16 K4 O23 132.5(6) . .
O19 K4 O23 69.9(6) . .
O7W K4 O18 97(2) . .
O16 K4 O18 63.6(6) . .
O19 K4 O18 127.4(6) . .
O23 K4 O18 88.1(6) . .
O7W K4 O8W 94(2) . .
O16 K4 O8W 78.9(7) . .
O19 K4 O8W 75.8(6) . .
O23 K4 O8W 135.0(7) . .
O18 K4 O8W 136.5(7) . .
O7W K4 O6C 142.0(19) . .
O16 K4 O6C 69.2(6) . .
O19 K4 O6C 63.7(5) . .
O23 K4 O6C 64.1(5) . .
O18 K4 O6C 63.7(5) . .
O8W K4 O6C 123.4(6) . .
O7W K4 C72 83(2) . .
O16 K4 C72 64.6(7) . .
O19 K4 C72 146.6(7) . .
O23 K4 C72 101.3(6) . .
O18 K4 C72 20.1(5) . .
O8W K4 C72 123.0(7) . .
O6C K4 C72 83.2(6) . .
O7W K4 Gd4 119.6(14) . .
O16 K4 Gd4 105.2(5) . .
O19 K4 Gd4 37.7(4) . .
O23 K4 Gd4 38.3(4) . .
O18 K4 Gd4 97.5(4) . .
O8W K4 Gd4 113.5(5) . .
O6C K4 Gd4 41.5(3) . .
C72 K4 Gd4 117.2(5) . .
O7W K4 Gd3 134(2) . .
O16 K4 Gd3 36.7(4) . .
O19 K4 Gd3 96.9(5) . .
O23 K4 Gd3 97.9(4) . .
O18 K4 Gd3 38.0(4) . .
O8W K4 Gd3 114.5(6) . .
O6C K4 Gd3 41.5(4) . .
C72 K4 Gd3 51.3(5) . .
Gd4 K4 Gd3 82.96(18) . .
O7W K4 K3 97(2) . .
O16 K4 K3 95.6(5) . .
O19 K4 K3 96.3(4) . .
O23 K4 K3 44.6(4) . .
O18 K4 K3 44.2(4) . .
O8W K4 K3 169.6(6) . .
O6C K4 K3 46.2(3) . .
C72 K4 K3 60.7(4) . .
Gd4 K4 K3 59.14(16) . .
Gd3 K4 K3 59.02(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.28(3) .
C1 N1 1.33(3) .
C1 C8 1.44(4) .
C1O O3C 1.28(3) .
C1O O1C 1.29(3) .
C1O O2C 1.29(3) .
C1O Gd1 2.86(3) .
C1O Gd2 2.88(2) .
C2 C7 1.24(4) .
C2 C3 1.35(4) .
C2 N1 1.40(4) .
C2O O4C 1.24(3) .
C2O O5C 1.28(3) .
C2O O6C 1.33(3) .
C2O Gd4 2.86(3) .
C2O Gd3 2.89(3) .
C3 C4 1.35(5) .
C3 H3 0.9300 .
C4 C5 1.32(6) .
C4 H4 0.9300 .
C5 C6 1.49(6) .
C5 H5 0.9300 .
C6 C7 1.45(4) .
C6 H6 0.9300 .
C7 N2 1.48(4) .
C8 O2 1.30(4) .
C8 N2 1.38(4) .
C9 O3 1.28(3) .
C9 N3 1.31(3) .
C9 C16 1.50(4) .
C9 K1 3.40(3) .
C10 C15 1.38(4) .
C10 C11 1.39(4) .
C10 N3 1.40(3) .
C11 C12 1.40(4) .
C11 H11 0.9300 .
C12 C13 1.42(6) .
C12 H12 0.9300 .
C13 C14 1.35(5) .
C13 H13 0.9300 .
C14 C15 1.40(4) .
C14 H14 0.9300 .
C15 N4 1.42(4) .
C16 O4 1.24(3) .
C16 N4 1.30(3) .
C17 O5 1.27(3) .
C17 N5 1.28(3) .
C17 C24 1.52(3) .
C18 C23 1.39(3) .
C18 N5 1.39(3) .
C18 C19 1.42(3) .
C19 C20 1.35(4) .
C19 H19 0.9300 .
C20 C21 1.35(4) .
C20 H20 0.9300 .
C21 C22 1.42(4) .
C21 H21 0.9300 .
C22 C23 1.35(3) .
C22 H22 0.9300 .
C23 N6 1.41(3) .
C24 O6 1.30(3) .
C24 N6 1.31(3) .
C24 K2 3.39(2) .
C25 O8 1.28(3) .
C25 N8 1.32(3) .
C25 C32 1.49(3) .
C26 C27 1.40(3) .
C26 C31 1.42(3) .
C26 N8 1.43(3) .
C27 C28 1.36(4) .
C27 H27 0.9300 .
C28 C29 1.47(4) .
C28 H28 0.9300 .
C29 C30 1.34(3) .
C29 H29 0.9300 .
C30 C31 1.39(4) .
C30 H30 0.9300 .
C31 N7 1.35(3) .
C32 O7 1.30(3) .
C32 N7 1.34(3) .
C33 O9 1.28(3) .
C33 N9 1.35(3) .
C33 C40 1.49(4) .
C34 C39 1.37(4) .
C34 N9 1.40(3) .
C34 C35 1.43(4) .
C35 C36 1.31(4) .
C35 H35 0.9300 .
C36 C37 1.40(5) .
C36 H36 0.9300 .
C37 C38 1.36(6) .
C37 H37 0.9300 .
C38 C39 1.39(4) .
C38 H38 0.9300 .
C39 N10 1.40(4) .
C40 O10 1.29(3) .
C40 N10 1.32(3) .
C41 O12 1.26(3) .
C41 N12 1.32(3) .
C41 C48 1.47(4) .
C42 N12 1.39(3) .
C42 C43 1.39(4) .
C42 C47 1.42(4) .
C43 C44 1.35(5) .
C43 H43 0.9300 .
C44 C45 1.34(6) .
C44 H44 0.9300 .
C45 C46 1.43(5) .
C45 H45 0.9300 .
C46 C47 1.38(4) .
C46 H46 0.9300 .
C47 N11 1.42(4) .
C48 O11 1.28(3) .
C48 N11 1.35(3) .
C49 N13 1.31(4) .
C49 O13 1.31(3) .
C49 C56 1.42(4) .
C50 N13 1.37(4) .
C50 C55 1.38(5) .
C50 C51 1.53(6) .
C51 C52 1.60(7) .
C51 H51 0.9300 .
C52 C53 1.36(8) .
C52 H52 0.9300 .
C53 C54 1.39(7) .
C53 H53 0.9300 .
C54 C55 1.39(4) .
C54 H54 0.9300 .
C55 N14 1.39(4) .
C56 O14 1.25(3) .
C56 N14 1.35(4) .
C57 O15 1.31(4) .
C57 N15 1.38(4) .
C57 C64 1.43(5) .
C58 C63 1.32(5) .
C58 N15 1.40(5) .
C58 C59 1.45(6) .
C59 C60 1.33(9) .
C59 H59 0.9300 .
C60 C61 1.42(10) .
C60 H60 0.9300 .
C61 C62 1.35(6) .
C61 H61 0.9300 .
C62 C63 1.38(4) .
C62 H62 0.9300 .
C63 N16 1.46(4) .
C64 N16 1.33(4) .
C64 O16 1.34(3) .
C65 O17 1.27(3) .
C65 N17 1.37(3) .
C65 C72 1.43(4) .
C66 C67 1.37(4) .
C66 N17 1.39(3) .
C66 C71 1.41(4) .
C67 C68 1.35(5) .
C67 H67 0.9300 .
C68 C69 1.44(6) .
C68 H68 0.9300 .
C69 C70 1.38(5) .
C69 H69 0.9300 .
C70 C71 1.47(4) .
C70 H70 0.9300 .
C71 N18 1.38(3) .
C72 O18 1.28(3) .
C72 N18 1.33(3) .
C72 K4 3.43(3) .
C73 N19 1.26(3) .
C73 O19 1.34(3) .
C73 C80 1.51(4) .
C74 C75 1.34(4) .
C74 N19 1.37(3) .
C74 C79 1.40(4) .
C75 C76 1.36(5) .
C75 H75 0.9300 .
C76 C77 1.49(5) .
C76 H76 0.9300 .
C77 C78 1.39(4) .
C77 H77 0.9300 .
C78 C79 1.41(4) .
C78 H78 0.9300 .
C79 N20 1.41(3) .
C80 O20 1.29(3) .
C80 N20 1.32(3) .
C81 N21 1.29(3) .
C81 O21 1.31(3) .
C81 C88 1.45(4) .
C82 N21 1.40(3) .
C82 C83 1.40(4) .
C82 C87 1.42(5) .
C83 C84 1.31(5) .
C83 H83 0.9300 .
C84 C85 1.34(7) .
C84 H84 0.9300 .
C85 C86 1.32(7) .
C85 H85 0.9300 .
C86 C87 1.42(5) .
C86 H86 0.9300 .
C87 N22 1.36(4) .
C88 O22 1.28(3) .
C88 N22 1.35(3) .
C89 O23 1.22(3) .
C89 N23 1.33(4) .
C89 C96 1.52(4) .
C89 K3 3.27(3) .
C90 N23 1.33(4) .
C90 C91 1.37(4) .
C90 C95 1.40(5) .
C91 C92 1.18(8) .
C91 H91 0.9300 .
C92 C93 1.52(9) .
C92 H92 0.9300 .
C93 C94 1.51(7) .
C93 H93 0.9300 .
C94 C95 1.51(4) .
C94 H94 0.9300 .
C95 N24 1.41(4) .
C96 N24 1.31(3) .
C96 O24 1.33(3) .
C97 N1C 1.55(5) .
C98 N1C 1.38(5) .
C99 N1C 1.48(4) .
C100 N1C 1.69(2) .
C101 N2C 1.47(4) .
C102 N2C 1.49(4) .
C103 N2C 1.42(5) .
C104 N2C 1.58(5) .
C105 N3C 1.51(4) .
C106 N3C 1.58(4) .
C107 N3C 1.54(4) .
C108 N3C 1.46(4) .
C109 N4C 1.52(4) .
C110 N4C 1.44(4) .
C111 N4C 1.53(4) .
C112 N4C 1.48(4) .
C113 N5C 1.51(4) .
C114 N5C 1.45(4) .
C115 N5C 1.58(5) .
C116 N5C 1.53(6) .
C117 N6C 1.39(5) .
C118 N6C 1.47(5) .
C119 N6C 1.36(7) .
C120 N6C 1.53(5) .
C121 N7C 1.42(2) .
C122 N7C 1.60(2) .
C123 N7C 1.41(2) .
C124 N7C 1.730(18) .
C125 N8C 1.500(19) .
C126 N8C 1.471(18) .
C127 N8C 1.790(17) .
C128 N8C 1.630(17) .
C129 N9C 1.652(19) .
C129 K1 3.50(3) 1_545
C130 N9C 1.60(5) .
C131 N9C 1.52(2) .
C132 N9C 1.50(2) .
C133 N10C 1.40(2) .
C134 N10C 1.574(19) .
C135 N10C 1.41(2) .
C136 N10C 1.574(19) .
C137 N11C 1.52(4) .
C138 N11C 1.47(4) .
C139 N11C 1.51(5) .
C140 N11C 1.49(4) .
C141 N12C 1.43(5) .
C142 N12C 1.58(4) .
C143 N12C 1.64(5) .
C144 N12C 1.48(4) .
O1 Gd1 2.360(18) .
O1 K1 2.681(17) .
O1C Gd1 2.508(14) .
O1C Gd2 2.574(14) .
O1C K1 2.961(16) .
O1C K2 2.978(15) .
O2 Gd1 2.398(18) .
O2C Gd2 2.411(15) .
O3 Gd1 2.369(14) .
O3 K1 2.735(18) .
O3 K2 2.742(17) .
O3C Gd1 2.439(16) .
O4 Gd1 2.384(17) .
O4C Gd4 2.408(17) .
O5 Gd2 2.372(16) .
O5C Gd3 2.429(17) .
O6 Gd2 2.371(15) .
O6 K1 2.702(16) .
O6 K2 2.800(17) .
O6C Gd4 2.545(17) .
O6C Gd3 2.556(17) .
O6C K3 2.854(16) .
O6C K4 2.903(17) .
O7 Gd2 2.358(17) .
O7 K1 2.645(18) .
O8 Gd2 2.363(17) .
O9 Gd2 2.33(2) .
O9 K2 2.713(15) .
O10 Gd2 2.355(16) .
O11 Gd1 2.370(18) .
O12 Gd1 2.389(18) .
O12 K2 2.660(18) .
O13 Gd3 2.369(17) .
O14 Gd3 2.374(17) .
O14 K3 2.608(18) .
O15 Gd3 2.383(19) .
O16 Gd3 2.358(18) .
O16 K4 2.60(2) .
O17 Gd3 2.346(17) .
O18 Gd3 2.400(16) .
O18 K4 2.710(18) .
O18 K3 2.754(17) .
O19 Gd4 2.391(15) .
O19 K4 2.603(19) .
O20 Gd4 2.390(18) .
O21 Gd4 2.386(16) .
O21 K3 2.667(19) .
O22 Gd4 2.361(15) .
O23 Gd4 2.404(19) .
O23 K4 2.686(19) .
O23 K3 2.774(18) .
O24 Gd4 2.405(17) .
O1W K1 2.82(4) .
O2W K1 2.839(19) .
O3W K2 2.696(18) .
O4W K2 2.861(19) .
O5W K3 2.98(14) .
O6W K3 2.86(2) .
O7W K4 2.28(8) .
O8W K4 2.85(2) .
O14W O15W 1.75(6) .
Gd1 K1 3.869(7) .
Gd1 K2 3.882(6) .
Gd2 K1 3.854(6) .
Gd2 K2 3.926(5) .
Gd3 K3 3.847(7) .
Gd3 K4 3.860(9) .
Gd4 K4 3.842(8) .
Gd4 K3 3.846(7) .
K1 C129 3.50(3) 1_565
K1 K2 4.006(8) .
K3 K4 3.949(10) .
O29W O30W 1.19(9) .
O25W O26W 1.02(6) .
O28W O28W 1.69(12) 3_666
