#------------------------------------------------------------------------------
#$Date: 2019-11-22 21:56:59 +0200 (Fri, 22 Nov 2019) $
#$Revision: 231384 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/65/4516579.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_4516579
loop_
_publ_author_name
'Zhang, Huijie'
'Fan, Ruiqing'
'Chen, Wei'
'Fan, Jizhuang'
'Dong, Yuwei'
'Song, Yang'
'Du, Xi'
'Wang, Ping'
'Yang, Yulin'
_publ_section_title
;
 3D Lanthanide Metal--Organic Frameworks Based on Mono-, Tri-, and
 Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive
 Luminescent Sensor for Fe3+ and Cu2+ Ions
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5429
_journal_paper_doi               10.1021/acs.cgd.6b00903
_journal_volume                  16
_journal_year                    2016
_chemical_formula_sum            'C32 H12 Gd2 K2 N0 O28'
_chemical_formula_weight         1237.12
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                100.091(12)
_cell_angle_beta                 106.028(13)
_cell_angle_gamma                95.762(13)
_cell_formula_units_Z            2
_cell_length_a                   11.003(12)
_cell_length_b                   12.486(14)
_cell_length_c                   15.925(17)
_cell_measurement_reflns_used    7862
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.117
_cell_measurement_theta_min      1.361
_cell_volume                     2045(4)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1333
_diffrn_reflns_av_unetI/netI     0.1114
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.872
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15311
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.872
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.117
_diffrn_reflns_theta_min         1.361
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.520
_exptl_absorpt_correction_T_max  0.812
_exptl_absorpt_correction_T_min  0.680
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.010
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         2.829
_refine_diff_density_min         -3.084
_refine_diff_density_rms         0.364
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         7862
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0847
_refine_ls_R_factor_gt           0.0581
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1232P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1593
_refine_ls_wR_factor_ref         0.1981
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5781
_reflns_number_total             7862
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cg6b00903_si_005.cif
_cod_data_source_block           z5
_cod_database_code               4516579
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.677
_shelx_estimated_absorpt_t_max   0.817
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Gd1 Gd 1.05985(4) 0.24120(4) 0.62837(2) 0.02027(16) Uani 1 1 d . .
Gd2 Gd 1.49636(4) -0.25858(4) 1.11713(2) 0.02055(16) Uani 1 1 d . .
K1 K 0.7817(2) 0.0242(2) 0.44486(15) 0.0454(6) Uani 1 1 d . .
K2 K 1.2688(3) -0.5096(2) 0.94218(16) 0.0481(6) Uani 1 1 d . .
O1 O 0.8615(6) -0.1138(6) 0.8884(4) 0.0338(17) Uani 1 1 d . U
O2 O 0.8937(7) 0.0835(6) 0.6284(4) 0.0368(17) Uani 1 1 d . .
O3 O 1.0956(6) 0.0613(5) 0.6717(4) 0.0283(14) Uani 1 1 d . .
O4 O 0.9622(6) -0.1223(5) 0.5154(4) 0.0247(14) Uani 1 1 d . .
O5 O 0.9196(6) -0.2997(5) 0.5082(4) 0.0268(14) Uani 1 1 d . .
O6 O 1.2980(7) -0.2234(7) 1.1542(4) 0.040(2) Uani 1 1 d . .
O7 O 1.2765(6) -0.2769(6) 1.0123(4) 0.0346(18) Uani 1 1 d . .
O8 O 0.7119(6) -0.2090(6) 1.1349(4) 0.0335(16) Uani 1 1 d . .
O9 O 0.8703(6) -0.2787(5) 1.2174(4) 0.0272(15) Uani 1 1 d . .
O10 O 0.4112(6) 0.3788(6) 0.3994(4) 0.0322(16) Uani 1 1 d . U
O11 O 0.5949(7) 0.5764(6) 0.1703(4) 0.0344(17) Uani 1 1 d . .
O12 O 0.3858(6) 0.5642(6) 0.1233(4) 0.0308(15) Uani 1 1 d . .
O13 O 0.4881(7) 0.3754(5) 0.0195(4) 0.0300(15) Uani 1 1 d . .
O14 O 0.4951(7) 0.2029(6) 0.0246(4) 0.0304(15) Uani 1 1 d . .
O15 O 0.8780(6) 0.3212(6) 0.6700(4) 0.0379(18) Uani 1 1 d . .
O16 O 0.8490(6) 0.2567(7) 0.5290(4) 0.0362(18) Uani 1 1 d . .
O17 O 1.4470(6) 0.2142(6) 0.7298(4) 0.0301(16) Uani 1 1 d . .
O18 O 1.2707(6) 0.2232(6) 0.6270(4) 0.0326(16) Uani 1 1 d . .
O19 O 1.1696(9) 0.4298(6) 0.6813(5) 0.051(2) Uani 1 1 d . .
O20 O 1.5057(9) -0.0608(7) 1.1500(5) 0.052(2) Uani 1 1 d . .
O21 O 0.5376(11) 0.0336(12) 0.4352(8) 0.105(4) Uani 1 1 d . .
O22 O 0.7260(10) 0.0673(9) 0.2589(7) 0.085(3) Uani 1 1 d . .
O23 O 1.0767(12) -0.4439(9) 0.8152(6) 0.094(4) Uani 1 1 d . .
O24 O 1.076(5) -0.506(4) 1.013(3) 0.44(2) Uani 1 1 d . U
OW1 O 0.1618(11) 0.5288(10) 0.1900(7) 0.091(4) Uani 1 1 d . .
OW2 O 0.3300(12) 0.9597(11) 0.2921(8) 0.103(4) Uani 1 1 d . .
OW3 O 0.7760(13) 0.2422(13) 0.1765(8) 0.123(5) Uani 1 1 d . .
OW4 O 0.833(2) 0.3866(17) 0.3833(13) 0.209(8) Uani 1 1 d . U
C1 C 0.8921(8) -0.1380(9) 0.8103(5) 0.027(2) Uani 1 1 d . .
C2 C 0.9228(10) -0.0551(9) 0.7759(6) 0.031(2) Uani 1 1 d . .
H2A H 0.9314 0.0167 0.8076 0.037 Uiso 1 1 calc R U
C3 C 0.9433(10) -0.0743(9) 0.6902(6) 0.032(2) Uani 1 1 d . .
C4 C 0.9284(8) -0.1795(8) 0.6432(5) 0.0220(18) Uani 1 1 d . .
C5 C 0.8952(10) -0.2663(9) 0.6802(6) 0.031(2) Uani 1 1 d . .
H5A H 0.8846 -0.3383 0.6484 0.037 Uiso 1 1 calc R U
C6 C 0.8776(10) -0.2473(9) 0.7638(6) 0.036(3) Uani 1 1 d . .
H6A H 0.8567 -0.3057 0.7889 0.043 Uiso 1 1 calc R U
C7 C 0.9782(10) 0.0294(8) 0.6593(5) 0.027(2) Uani 1 1 d . .
C8 C 0.9392(8) -0.2016(8) 0.5512(5) 0.0232(19) Uani 1 1 d . .
C9 C 0.9185(9) -0.1597(8) 0.9594(5) 0.026(2) Uani 1 1 d . U
C10 C 1.0414(9) -0.1841(9) 0.9751(6) 0.029(2) Uani 1 1 d . .
H10D H 1.0881 -0.1749 0.9356 0.034 Uiso 1 1 calc R U
C11 C 1.0933(8) -0.2230(8) 1.0521(6) 0.0235(19) Uani 1 1 d . .
C12 C 1.0255(9) -0.2357(8) 1.1121(5) 0.0233(19) Uani 1 1 d . U
H12A H 1.0631 -0.2588 1.1644 0.028 Uiso 1 1 calc R U
C13 C 0.9005(9) -0.2136(8) 1.0930(5) 0.025(2) Uani 1 1 d . .
C14 C 0.8471(8) -0.1747(8) 1.0165(5) 0.026(2) Uani 1 1 d . .
H14A H 0.7639 -0.1589 1.0040 0.031 Uiso 1 1 calc R U
C15 C 1.2299(9) -0.2419(9) 1.0740(6) 0.029(2) Uani 1 1 d . .
C16 C 0.8214(9) -0.2345(8) 1.1530(5) 0.028(2) Uani 1 1 d . .
C17 C 0.4412(9) 0.3577(8) 0.3210(5) 0.027(2) Uani 1 1 d . U
C18 C 0.4528(9) 0.4440(8) 0.2804(5) 0.027(2) Uani 1 1 d . .
H18A H 0.4511 0.5152 0.3090 0.033 Uiso 1 1 calc R U
C19 C 0.4676(10) 0.4232(8) 0.1945(6) 0.028(2) Uani 1 1 d . .
C20 C 0.4754(9) 0.3214(8) 0.1534(5) 0.0228(19) Uani 1 1 d . .
C21 C 0.4611(10) 0.2331(9) 0.1942(6) 0.033(2) Uani 1 1 d . .
H21A H 0.4620 0.1622 0.1645 0.040 Uiso 1 1 calc R U
C22 C 0.4455(11) 0.2499(9) 0.2787(6) 0.035(2) Uani 1 1 d . U
H22A H 0.4382 0.1914 0.3068 0.042 Uiso 1 1 calc R U
C23 C 0.4856(9) 0.5263(8) 0.1596(5) 0.0220(19) Uani 1 1 d . .
C24 C 0.4889(9) 0.2988(8) 0.0615(6) 0.028(2) Uani 1 1 d . .
C25 C 0.4768(9) 0.3377(8) 0.4707(6) 0.026(2) Uani 1 1 d . .
C26 C 0.6066(9) 0.3356(8) 0.4925(6) 0.027(2) Uani 1 1 d . .
H26A H 0.6538 0.3572 0.4563 0.032 Uiso 1 1 calc R U
C27 C 0.6650(9) 0.3008(9) 0.5692(6) 0.029(2) Uani 1 1 d . .
C28 C 0.5962(8) 0.2723(7) 0.6244(5) 0.0207(18) Uani 1 1 d . .
H28A H 0.6373 0.2522 0.6774 0.025 Uiso 1 1 calc R U
C29 C 0.4662(9) 0.2736(8) 0.6008(5) 0.025(2) Uani 1 1 d . .
C30 C 0.4066(8) 0.3073(7) 0.5246(5) 0.0220(18) Uani 1 1 d . .
H30A H 0.3191 0.3097 0.5092 0.026 Uiso 1 1 calc R U
C31 C 0.8050(9) 0.2948(8) 0.5911(6) 0.028(2) Uani 1 1 d . .
C32 C 1.3860(9) 0.2341(7) 0.6559(5) 0.0230(19) Uani 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 0.0000 0.0000 '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'
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'
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
O9 Gd1 O18 89.4(2) 2_757 .
O9 Gd1 O19 71.4(2) 2_757 .
O18 Gd1 O19 77.5(3) . .
O9 Gd1 O4 150.7(2) 2_757 2_756
O18 Gd1 O4 74.5(2) . 2_756
O19 Gd1 O4 126.3(2) . 2_756
O9 Gd1 O16 128.3(2) 2_757 .
O18 Gd1 O16 141.4(2) . .
O19 Gd1 O16 104.1(3) . .
O4 Gd1 O16 74.1(2) 2_756 .
O9 Gd1 O5 145.9(2) 2_757 2_756
O18 Gd1 O5 74.5(2) . 2_756
O19 Gd1 O5 75.7(2) . 2_756
O4 Gd1 O5 53.1(2) 2_756 2_756
O16 Gd1 O5 68.8(2) . 2_756
O9 Gd1 O3 73.9(2) 2_757 .
O18 Gd1 O3 75.1(2) . .
O19 Gd1 O3 135.5(3) . .
O4 Gd1 O3 78.3(2) 2_756 .
O16 Gd1 O3 119.1(2) . .
O5 Gd1 O3 127.7(2) 2_756 .
O9 Gd1 O15 77.0(2) 2_757 .
O18 Gd1 O15 159.5(3) . .
O19 Gd1 O15 83.7(3) . .
O4 Gd1 O15 124.1(2) 2_756 .
O16 Gd1 O15 51.6(2) . .
O5 Gd1 O15 108.6(2) 2_756 .
O3 Gd1 O15 114.5(2) . .
O9 Gd1 O2 90.0(2) 2_757 .
O18 Gd1 O2 124.5(2) . .
O19 Gd1 O2 151.9(2) . .
O4 Gd1 O2 79.8(2) 2_756 .
O16 Gd1 O2 70.6(2) . .
O5 Gd1 O2 124.0(2) 2_756 .
O3 Gd1 O2 51.6(2) . .
O15 Gd1 O2 71.4(2) . .
O9 Gd1 C8 161.4(2) 2_757 2_756
O18 Gd1 C8 72.2(2) . 2_756
O19 Gd1 C8 101.0(3) . 2_756
O4 Gd1 C8 26.6(2) 2_756 2_756
O16 Gd1 C8 69.6(2) . 2_756
O5 Gd1 C8 26.5(2) 2_756 2_756
O3 Gd1 C8 103.1(2) . 2_756
O15 Gd1 C8 119.9(2) . 2_756
O2 Gd1 C8 102.6(3) . 2_756
O9 Gd1 C31 102.4(2) 2_757 .
O18 Gd1 C31 164.1(2) . .
O19 Gd1 C31 96.0(3) . .
O4 Gd1 C31 98.7(2) 2_756 .
O16 Gd1 C31 25.9(2) . .
O5 Gd1 C31 89.8(2) 2_756 .
O3 Gd1 C31 118.1(3) . .
O15 Gd1 C31 25.9(2) . .
O2 Gd1 C31 66.9(3) . .
C8 Gd1 C31 95.2(2) 2_756 .
O9 Gd1 C7 80.2(2) 2_757 .
O18 Gd1 C7 100.3(3) . .
O19 Gd1 C7 151.5(2) . .
O4 Gd1 C7 78.9(2) 2_756 .
O16 Gd1 C7 95.1(3) . .
O5 Gd1 C7 131.6(2) 2_756 .
O3 Gd1 C7 26.0(2) . .
O15 Gd1 C7 92.4(3) . .
O2 Gd1 C7 25.7(2) . .
C8 Gd1 C7 105.3(3) 2_756 .
C31 Gd1 C7 92.3(3) . .
O17 Gd2 O8 85.6(2) 2_857 1_655
O17 Gd2 O20 76.6(2) 2_857 .
O8 Gd2 O20 81.8(3) 1_655 .
O17 Gd2 O12 88.0(2) 2_857 1_646
O8 Gd2 O12 128.1(2) 1_655 1_646
O20 Gd2 O12 145.5(3) . 1_646
O17 Gd2 O13 149.1(2) 2_857 2_756
O8 Gd2 O13 80.5(2) 1_655 2_756
O20 Gd2 O13 127.8(2) . 2_756
O12 Gd2 O13 79.4(2) 1_646 2_756
O17 Gd2 O6 74.2(2) 2_857 .
O8 Gd2 O6 151.0(3) 1_655 .
O20 Gd2 O6 73.4(3) . .
O12 Gd2 O6 72.8(3) 1_646 .
O13 Gd2 O6 126.9(2) 2_756 .
O17 Gd2 O7 126.2(2) 2_857 .
O8 Gd2 O7 144.0(2) 1_655 .
O20 Gd2 O7 89.5(3) . .
O12 Gd2 O7 75.0(2) 1_646 .
O13 Gd2 O7 77.6(2) 2_756 .
O6 Gd2 O7 52.1(2) . .
O17 Gd2 O14 148.0(3) 2_857 2_756
O8 Gd2 O14 74.7(2) 1_655 2_756
O20 Gd2 O14 75.8(2) . 2_756
O12 Gd2 O14 124.0(2) 1_646 2_756
O13 Gd2 O14 52.1(2) 2_756 2_756
O6 Gd2 O14 112.4(2) . 2_756
O7 Gd2 O14 69.3(2) . 2_756
O17 Gd2 O11 74.5(2) 2_857 1_646
O8 Gd2 O11 77.2(2) 1_655 1_646
O20 Gd2 O11 145.2(3) . 1_646
O12 Gd2 O11 51.6(2) 1_646 1_646
O13 Gd2 O11 75.6(2) 2_756 1_646
O6 Gd2 O11 115.8(2) . 1_646
O7 Gd2 O11 123.3(3) . 1_646
O14 Gd2 O11 123.47(19) 2_756 1_646
O17 Gd2 C24 161.9(3) 2_857 2_756
O8 Gd2 C24 76.3(2) 1_655 2_756
O20 Gd2 C24 101.8(3) . 2_756
O12 Gd2 C24 102.0(3) 1_646 2_756
O13 Gd2 C24 26.1(2) 2_756 2_756
O6 Gd2 C24 123.0(2) . 2_756
O7 Gd2 C24 71.4(2) . 2_756
O14 Gd2 C24 26.1(2) 2_756 2_756
O11 Gd2 C24 99.8(2) 1_646 2_756
O17 Gd2 C15 100.2(2) 2_857 .
O8 Gd2 C15 158.2(3) 1_655 .
O20 Gd2 C15 79.2(3) . .
O12 Gd2 C15 73.4(3) 1_646 .
O13 Gd2 C15 102.9(2) 2_756 .
O6 Gd2 C15 26.0(2) . .
O7 Gd2 C15 26.2(2) . .
O14 Gd2 C15 90.2(2) 2_756 .
O11 Gd2 C15 124.6(3) 1_646 .
C24 Gd2 C15 97.1(2) 2_756 .
O17 Gd2 C23 78.6(2) 2_857 1_646
O8 Gd2 C23 102.8(3) 1_655 1_646
O20 Gd2 C23 154.4(2) . 1_646
O12 Gd2 C23 26.0(2) 1_646 1_646
O13 Gd2 C23 77.8(2) 2_756 1_646
O6 Gd2 C23 93.7(3) . 1_646
O7 Gd2 C23 100.0(3) . 1_646
O14 Gd2 C23 129.8(2) 2_756 1_646
O11 Gd2 C23 25.7(2) 1_646 1_646
C24 Gd2 C23 103.8(3) 2_756 1_646
C15 Gd2 C23 99.0(3) . 1_646
O21 K1 O3 134.6(3) . 2_756
O21 K1 O2 100.2(3) . .
O3 K1 O2 123.8(2) 2_756 .
O21 K1 O4 152.1(3) . 2_756
O3 K1 O4 65.36(19) 2_756 2_756
O2 K1 O4 70.0(2) . 2_756
O21 K1 O16 90.0(3) . .
O3 K1 O16 119.0(2) 2_756 .
O2 K1 O16 61.39(19) . .
O4 K1 O16 62.25(18) 2_756 .
O21 K1 O4 133.1(4) . .
O3 K1 O4 66.40(18) 2_756 .
O2 K1 O4 66.59(18) . .
O4 K1 O4 68.3(2) 2_756 .
O16 K1 O4 116.9(2) . .
O21 K1 O22 88.8(3) . .
O3 K1 O22 57.7(2) 2_756 .
O2 K1 O22 152.9(3) . .
O4 K1 O22 90.2(2) 2_756 .
O16 K1 O22 93.3(3) . .
O4 K1 O22 124.1(2) . .
O21 K1 O18 92.8(3) . 2_756
O3 K1 O18 61.71(19) 2_756 2_756
O2 K1 O18 113.3(2) . 2_756
O4 K1 O18 115.03(18) 2_756 2_756
O16 K1 O18 174.44(18) . 2_756
O4 K1 O18 57.91(18) . 2_756
O22 K1 O18 91.5(3) . 2_756
O21 K1 C32 73.1(3) . 2_756
O3 K1 C32 74.6(2) 2_756 2_756
O2 K1 C32 121.2(2) . 2_756
O4 K1 C32 134.6(2) 2_756 2_756
O16 K1 C32 163.1(2) . 2_756
O4 K1 C32 76.8(2) . 2_756
O22 K1 C32 85.9(3) . 2_756
O18 K1 C32 20.43(18) 2_756 2_756
O21 K1 C7 114.0(3) . .
O3 K1 C7 107.0(2) 2_756 .
O2 K1 C7 18.9(2) . .
O4 K1 C7 64.1(2) 2_756 .
O16 K1 C7 75.8(2) . .
O4 K1 C7 47.80(19) . .
O22 K1 C7 154.3(3) . .
O18 K1 C7 98.6(2) 2_756 .
C32 K1 C7 111.2(2) 2_756 .
O21 K1 Gd1 120.3(3) . .
O3 K1 Gd1 102.37(17) 2_756 .
O2 K1 Gd1 39.44(16) . .
O4 K1 Gd1 37.21(12) 2_756 .
O16 K1 Gd1 38.09(13) . .
O4 K1 Gd1 78.87(16) . .
O22 K1 Gd1 114.3(2) . .
O18 K1 Gd1 136.78(13) 2_756 .
C32 K1 Gd1 154.56(15) 2_756 .
C7 K1 Gd1 44.67(18) . .
O21 K1 Gd1 128.3(3) . 2_756
O3 K1 Gd1 37.36(14) 2_756 2_756
O2 K1 Gd1 103.42(14) . 2_756
O4 K1 Gd1 79.55(15) 2_756 2_756
O16 K1 Gd1 141.60(15) . 2_756
O4 K1 Gd1 36.84(12) . 2_756
O22 K1 Gd1 90.4(2) . 2_756
O18 K1 Gd1 35.51(13) 2_756 2_756
C32 K1 Gd1 55.28(16) 2_756 2_756
C7 K1 Gd1 84.58(16) . 2_756
Gd1 K1 Gd1 106.91(9) . 2_756
O24 K2 O11 159.1(11) . 2_756
O24 K2 O12 75.7(11) . 1_646
O11 K2 O12 121.2(2) 2_756 1_646
O24 K2 O23 76.2(11) . .
O11 K2 O23 95.9(3) 2_756 .
O12 K2 O23 134.5(2) 1_646 .
O24 K2 O13 135.0(11) . 2_756
O11 K2 O13 65.8(2) 2_756 2_756
O12 K2 O13 67.72(19) 1_646 2_756
O23 K2 O13 112.2(3) . 2_756
O24 K2 O7 76.1(12) . .
O11 K2 O7 121.1(2) 2_756 .
O12 K2 O7 64.04(18) 1_646 .
O23 K2 O7 74.8(3) . .
O13 K2 O7 65.07(19) 2_756 .
O24 K2 O13 118.9(11) . 1_646
O11 K2 O13 65.10(19) 2_756 1_646
O12 K2 O13 65.34(18) 1_646 1_646
O23 K2 O13 159.7(2) . 1_646
O13 K2 O13 67.8(2) 2_756 1_646
O7 K2 O13 120.2(2) . 1_646
O24 K2 C16 92.3(12) . 2_747
O11 K2 C16 68.4(2) 2_756 2_747
O12 K2 C16 123.6(2) 1_646 2_747
O23 K2 C16 92.6(3) . 2_747
O13 K2 C16 129.4(2) 2_756 2_747
O7 K2 C16 164.5(2) . 2_747
O13 K2 C16 74.3(2) 1_646 2_747
O24 K2 O9 94.9(11) . 2_747
O11 K2 O9 64.2(2) 2_756 2_747
O12 K2 O9 145.8(2) 1_646 2_747
O23 K2 O9 71.5(3) . 2_747
O13 K2 O9 129.96(18) 2_756 2_747
O7 K2 O9 146.36(18) . 2_747
O13 K2 O9 92.73(19) 1_646 2_747
C16 K2 O9 22.61(17) 2_747 2_747
O24 K2 C23 176.9(11) . 2_756
O11 K2 C23 17.8(2) 2_756 2_756
O12 K2 C23 106.9(2) 1_646 2_756
O23 K2 C23 102.6(3) . 2_756
O13 K2 C23 48.0(2) 2_756 2_756
O7 K2 C23 106.5(2) . 2_756
O13 K2 C23 61.48(19) 1_646 2_756
C16 K2 C23 84.9(2) 2_747 2_756
O9 K2 C23 82.0(2) 2_747 2_756
O24 K2 Gd2 96.5(11) . .
O11 K2 Gd2 104.3(2) 2_756 .
O12 K2 Gd2 38.23(15) 1_646 .
O23 K2 Gd2 112.3(3) . .
O13 K2 Gd2 38.65(12) 2_756 .
O7 K2 Gd2 39.44(13) . .
O13 K2 Gd2 80.78(16) 1_646 .
C16 K2 Gd2 154.85(16) 2_747 .
O9 K2 Gd2 168.48(14) 2_747 .
C23 K2 Gd2 86.53(18) 2_756 .
O24 K2 Gd2 135.9(12) . 2_847
O11 K2 Gd2 36.14(14) 2_756 2_847
O12 K2 Gd2 100.06(15) 1_646 2_847
O23 K2 Gd2 124.9(2) . 2_847
O13 K2 Gd2 77.19(16) 2_756 2_847
O7 K2 Gd2 142.17(16) . 2_847
O13 K2 Gd2 34.87(12) 1_646 2_847
C16 K2 Gd2 52.92(17) 2_747 2_847
O9 K2 Gd2 63.85(13) 2_747 2_847
C23 K2 Gd2 42.50(15) 2_756 2_847
Gd2 K2 Gd2 106.57(10) . 2_847
C1 O1 C9 119.8(6) . .
C7 O2 Gd1 92.0(6) . .
C7 O2 K1 115.0(5) . .
Gd1 O2 K1 96.9(2) . .
C7 O3 Gd1 93.9(6) . .
C7 O3 K1 121.4(5) . 2_756
Gd1 O3 K1 101.4(2) . 2_756
C8 O4 Gd1 93.9(5) . 2_756
C8 O4 K1 118.0(5) . 2_756
Gd1 O4 K1 98.57(19) 2_756 2_756
C8 O4 K1 126.9(5) . .
Gd1 O4 K1 96.38(19) 2_756 .
K1 O4 K1 111.7(2) 2_756 .
C8 O5 Gd1 92.3(5) . 2_756
C15 O6 Gd2 94.4(5) . .
C15 O7 Gd2 93.3(5) . .
C15 O7 K2 123.3(7) . .
Gd2 O7 K2 92.7(2) . .
C16 O8 Gd2 147.9(7) . 1_455
C16 O9 Gd1 140.8(6) . 2_757
C16 O9 K2 77.7(6) . 2_747
Gd1 O9 K2 137.0(3) 2_757 2_747
C17 O10 C25 119.3(6) . .
C23 O11 Gd2 90.5(5) . 1_464
C23 O11 K2 120.6(6) . 2_756
Gd2 O11 K2 105.6(2) 1_464 2_756
C23 O12 Gd2 96.5(6) . 1_464
C23 O12 K2 118.5(5) . 1_464
Gd2 O12 K2 97.5(2) 1_464 1_464
C24 O13 Gd2 94.9(5) . 2_756
C24 O13 K2 114.7(6) . 2_756
Gd2 O13 K2 94.7(2) 2_756 2_756
C24 O13 K2 128.8(6) . 1_464
Gd2 O13 K2 100.6(2) 2_756 1_464
K2 O13 K2 112.2(2) 2_756 1_464
C24 O14 Gd2 93.0(5) . 2_756
C31 O15 Gd1 93.0(5) . .
C31 O16 Gd1 95.3(5) . .
C31 O16 K1 119.8(7) . .
Gd1 O16 K1 95.4(2) . .
C32 O17 Gd2 148.3(6) . 2_857
C32 O18 Gd1 157.3(6) . .
C32 O18 K1 98.2(6) . 2_756
Gd1 O18 K1 96.1(2) . 2_756
O24 O24 K2 141(4) 2_747 .
C2 C1 O1 117.3(9) . .
C2 C1 C6 121.1(8) . .
O1 C1 C6 121.3(9) . .
C1 C2 C3 120.4(10) . .
C1 C2 H2A 119.8 . .
C3 C2 H2A 119.8 . .
C4 C3 C2 119.7(9) . .
C4 C3 C7 125.9(7) . .
C2 C3 C7 114.4(8) . .
C3 C4 C5 119.2(8) . .
C3 C4 C8 120.8(8) . .
C5 C4 C8 119.9(8) . .
C6 C5 C4 120.8(9) . .
C6 C5 H5A 119.6 . .
C4 C5 H5A 119.6 . .
C5 C6 C1 118.8(9) . .
C5 C6 H6A 120.6 . .
C1 C6 H6A 120.6 . .
O2 C7 O3 122.3(10) . .
O2 C7 C3 120.2(9) . .
O3 C7 C3 117.3(8) . .
O2 C7 Gd1 62.4(6) . .
O3 C7 Gd1 60.1(5) . .
C3 C7 Gd1 171.5(6) . .
O2 C7 K1 46.1(4) . .
O3 C7 K1 114.4(5) . .
C3 C7 K1 110.9(6) . .
Gd1 C7 K1 76.9(2) . .
O5 C8 O4 120.7(7) . .
O5 C8 C4 119.2(8) . .
O4 C8 C4 120.0(8) . .
O5 C8 Gd1 61.2(4) . 2_756
O4 C8 Gd1 59.6(4) . 2_756
C4 C8 Gd1 175.6(6) . 2_756
C14 C9 O1 115.7(7) . .
C14 C9 C10 121.8(8) . .
O1 C9 C10 122.4(8) . .
C9 C10 C11 117.9(8) . .
C9 C10 H10D 121.1 . .
C11 C10 H10D 121.1 . .
C12 C11 C10 121.7(8) . .
C12 C11 C15 119.3(8) . .
C10 C11 C15 118.8(8) . .
C11 C12 C13 119.0(8) . .
C11 C12 H12A 120.5 . .
C13 C12 H12A 120.5 . .
C14 C13 C12 120.0(8) . .
C14 C13 C16 119.6(7) . .
C12 C13 C16 120.4(7) . .
C9 C14 C13 119.5(8) . .
C9 C14 H14A 120.3 . .
C13 C14 H14A 120.3 . .
O6 C15 O7 119.9(8) . .
O6 C15 C11 119.9(7) . .
O7 C15 C11 120.2(8) . .
O6 C15 Gd2 59.6(4) . .
O7 C15 Gd2 60.5(4) . .
C11 C15 Gd2 175.1(7) . .
O8 C16 O9 125.1(8) . .
O8 C16 C13 117.7(7) . .
O9 C16 C13 117.2(7) . .
O8 C16 K2 95.7(7) . 2_747
O9 C16 K2 79.7(6) . 2_747
C13 C16 K2 93.6(5) . 2_747
C18 C17 O10 116.9(8) . .
C18 C17 C22 121.0(7) . .
O10 C17 C22 121.7(9) . .
C17 C18 C19 118.6(8) . .
C17 C18 H18A 120.7 . .
C19 C18 H18A 120.7 . .
C20 C19 C18 121.6(8) . .
C20 C19 C23 125.2(8) . .
C18 C19 C23 113.0(8) . .
C19 C20 C21 119.6(8) . .
C19 C20 C24 121.7(8) . .
C21 C20 C24 118.6(8) . .
C22 C21 C20 120.6(9) . .
C22 C21 H21A 119.7 . .
C20 C21 H21A 119.7 . .
C21 C22 C17 118.5(9) . .
C21 C22 H22A 120.8 . .
C17 C22 H22A 120.8 . .
O11 C23 O12 121.0(8) . .
O11 C23 C19 121.4(8) . .
O12 C23 C19 117.6(8) . .
O11 C23 Gd2 63.8(5) . 1_464
O12 C23 Gd2 57.5(5) . 1_464
C19 C23 Gd2 169.0(6) . 1_464
O11 C23 K2 41.6(4) . 2_756
O12 C23 K2 119.9(5) . 2_756
C19 C23 K2 108.4(5) . 2_756
Gd2 C23 K2 81.9(2) 1_464 2_756
O14 C24 O13 120.0(8) . .
O14 C24 C20 120.3(8) . .
O13 C24 C20 119.7(8) . .
O14 C24 Gd2 60.9(4) . 2_756
O13 C24 Gd2 59.1(4) . 2_756
C20 C24 Gd2 177.4(6) . 2_756
C26 C25 C30 121.1(8) . .
C26 C25 O10 123.0(8) . .
C30 C25 O10 115.6(8) . .
C25 C26 C27 118.4(8) . .
C25 C26 H26A 120.8 . .
C27 C26 H26A 120.8 . .
C28 C27 C26 120.9(8) . .
C28 C27 C31 120.7(8) . .
C26 C27 C31 118.4(8) . .
C27 C28 C29 119.7(7) . .
C27 C28 H28A 120.1 . .
C29 C28 H28A 120.1 . .
C30 C29 C28 120.1(8) . .
C30 C29 C32 118.8(8) . 1_455
C28 C29 C32 121.1(7) . 1_455
C29 C30 C25 119.7(8) . .
C29 C30 H30A 120.2 . .
C25 C30 H30A 120.2 . .
O15 C31 O16 119.4(8) . .
O15 C31 C27 121.8(8) . .
O16 C31 C27 118.7(8) . .
O15 C31 Gd1 61.1(4) . .
O16 C31 Gd1 58.8(4) . .
C27 C31 Gd1 169.7(7) . .
O18 C32 O17 125.0(9) . .
O18 C32 C29 118.9(7) . 1_655
O17 C32 C29 116.0(8) . 1_655
O18 C32 K1 61.3(6) . 2_756
O17 C32 K1 98.8(6) . 2_756
C29 C32 K1 110.9(5) 1_655 2_756
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O9 2.308(6) 2_757
Gd1 O18 2.359(7) .
Gd1 O19 2.426(8) .
Gd1 O4 2.436(6) 2_756
Gd1 O16 2.469(6) .
Gd1 O5 2.472(6) 2_756
Gd1 O3 2.499(7) .
Gd1 O15 2.519(6) .
Gd1 O2 2.549(8) .
Gd1 C8 2.819(9) 2_756
Gd1 C31 2.874(9) .
Gd1 C7 2.876(11) .
Gd2 O17 2.293(6) 2_857
Gd2 O8 2.316(7) 1_655
Gd2 O20 2.418(8) .
Gd2 O12 2.447(7) 1_646
Gd2 O13 2.457(6) 2_756
Gd2 O6 2.474(7) .
Gd2 O7 2.493(7) .
Gd2 O14 2.498(6) 2_756
Gd2 O11 2.586(6) 1_646
Gd2 C24 2.854(9) 2_756
Gd2 C15 2.859(9) .
Gd2 C23 2.882(9) 1_646
K1 O21 2.663(11) .
K1 O3 2.718(7) 2_756
K1 O2 2.771(8) .
K1 O4 2.810(7) 2_756
K1 O16 2.903(9) .
K1 O4 2.961(6) .
K1 O22 3.010(11) .
K1 O18 3.037(9) 2_756
K1 C32 3.426(10) 2_756
K1 C7 3.487(9) .
K1 Gd1 4.038(4) 2_756
K2 O24 2.66(5) .
K2 O11 2.715(7) 2_756
K2 O12 2.758(7) 1_646
K2 O23 2.792(11) .
K2 O13 2.860(8) 2_756
K2 O7 2.909(8) .
K2 O13 3.013(7) 1_646
K2 C16 3.214(11) 2_747
K2 O9 3.236(7) 2_747
K2 C23 3.519(9) 2_756
K2 Gd2 4.224(4) 2_847
O1 C1 1.368(10) .
O1 C9 1.381(9) .
O2 C7 1.247(11) .
O3 C7 1.263(12) .
O3 K1 2.718(7) 2_756
O4 C8 1.263(11) .
O4 Gd1 2.436(6) 2_756
O4 K1 2.810(7) 2_756
O5 C8 1.260(11) .
O5 Gd1 2.472(6) 2_756
O6 C15 1.256(11) .
O7 C15 1.262(10) .
O8 C16 1.246(10) .
O8 Gd2 2.316(7) 1_455
O9 C16 1.265(10) .
O9 Gd1 2.308(6) 2_757
O9 K2 3.236(7) 2_747
O10 C17 1.366(9) .
O10 C25 1.379(10) .
O11 C23 1.251(12) .
O11 Gd2 2.586(6) 1_464
O11 K2 2.715(7) 2_756
O12 C23 1.270(10) .
O12 Gd2 2.447(7) 1_464
O12 K2 2.758(7) 1_464
O13 C24 1.259(11) .
O13 Gd2 2.457(6) 2_756
O13 K2 2.860(8) 2_756
O13 K2 3.013(7) 1_464
O14 C24 1.256(11) .
O14 Gd2 2.498(6) 2_756
O15 C31 1.256(11) .
O16 C31 1.259(10) .
O17 C32 1.264(10) .
O17 Gd2 2.293(6) 2_857
O18 C32 1.208(11) .
O18 K1 3.037(9) 2_756
O24 O24 1.63(9) 2_747
C1 C2 1.309(14) .
C1 C6 1.404(14) .
C2 C3 1.428(11) .
C2 H2A 0.9300 .
C3 C4 1.363(13) .
C3 C7 1.514(14) .
C4 C5 1.385(13) .
C4 C8 1.482(11) .
C5 C6 1.381(12) .
C5 H5A 0.9300 .
C6 H6A 0.9300 .
C8 Gd1 2.819(8) 2_756
C9 C14 1.380(12) .
C9 C10 1.381(13) .
C10 C11 1.393(12) .
C10 H10D 0.9300 .
C11 C12 1.385(12) .
C11 C15 1.499(12) .
C12 C13 1.392(12) .
C12 H12A 0.9300 .
C13 C14 1.391(11) .
C13 C16 1.497(12) .
C14 H14A 0.9300 .
C16 K2 3.214(11) 2_747
C17 C18 1.363(13) .
C17 C22 1.408(14) .
C18 C19 1.405(11) .
C18 H18A 0.9300 .
C19 C20 1.346(12) .
C19 C23 1.505(12) .
C20 C21 1.391(13) .
C20 C24 1.491(11) .
C21 C22 1.385(13) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 Gd2 2.882(9) 1_464
C23 K2 3.519(9) 2_756
C24 Gd2 2.854(9) 2_756
C25 C26 1.378(13) .
C25 C30 1.378(12) .
C26 C27 1.379(11) .
C26 H26A 0.9300 .
C27 C28 1.376(13) .
C27 C31 1.496(12) .
C28 C29 1.378(12) .
C28 H28A 0.9300 .
C29 C30 1.370(11) .
C29 C32 1.510(12) 1_455
C30 H30A 0.9300 .
C32 C29 1.510(12) 1_655
C32 K1 3.426(10) 2_756
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C9 O1 C1 C2 -130.5(10) . .
C9 O1 C1 C6 56.3(13) . .
O1 C1 C2 C3 -173.7(8) . .
C6 C1 C2 C3 -0.4(15) . .
C1 C2 C3 C4 1.2(15) . .
C1 C2 C3 C7 -180.0(9) . .
C2 C3 C4 C5 -0.9(14) . .
C7 C3 C4 C5 -179.5(9) . .
C2 C3 C4 C8 175.3(8) . .
C7 C3 C4 C8 -3.4(14) . .
C3 C4 C5 C6 -0.2(14) . .
C8 C4 C5 C6 -176.4(8) . .
C4 C5 C6 C1 1.0(15) . .
C2 C1 C6 C5 -0.7(15) . .
O1 C1 C6 C5 172.3(8) . .
Gd1 O2 C7 O3 -4.5(9) . .
K1 O2 C7 O3 94.0(9) . .
Gd1 O2 C7 C3 170.8(7) . .
K1 O2 C7 C3 -90.7(8) . .
K1 O2 C7 Gd1 98.5(4) . .
Gd1 O2 C7 K1 -98.5(4) . .
Gd1 O3 C7 O2 4.6(9) . .
K1 O3 C7 O2 -101.2(9) 2_756 .
Gd1 O3 C7 C3 -170.8(6) . .
K1 O3 C7 C3 83.4(8) 2_756 .
K1 O3 C7 Gd1 -105.8(5) 2_756 .
Gd1 O3 C7 K1 56.7(5) . .
K1 O3 C7 K1 -49.1(8) 2_756 .
C4 C3 C7 O2 100.5(11) . .
C2 C3 C7 O2 -78.2(11) . .
C4 C3 C7 O3 -84.0(12) . .
C2 C3 C7 O3 97.3(10) . .
C4 C3 C7 K1 50.1(11) . .
C2 C3 C7 K1 -128.7(7) . .
Gd1 O5 C8 O4 -1.8(8) 2_756 .
Gd1 O5 C8 C4 175.0(7) 2_756 .
Gd1 O4 C8 O5 1.8(8) 2_756 .
K1 O4 C8 O5 -100.0(8) 2_756 .
K1 O4 C8 O5 102.8(8) . .
Gd1 O4 C8 C4 -175.0(7) 2_756 .
K1 O4 C8 C4 83.2(8) 2_756 .
K1 O4 C8 C4 -74.0(10) . .
K1 O4 C8 Gd1 -101.8(4) 2_756 2_756
K1 O4 C8 Gd1 100.9(5) . 2_756
C3 C4 C8 O5 -177.0(8) . .
C5 C4 C8 O5 -1.0(13) . .
C3 C4 C8 O4 -0.2(13) . .
C5 C4 C8 O4 175.9(8) . .
C1 O1 C9 C14 -151.5(9) . .
C1 O1 C9 C10 31.8(14) . .
C14 C9 C10 C11 -1.1(16) . .
O1 C9 C10 C11 175.5(9) . .
C9 C10 C11 C12 -0.9(15) . .
C9 C10 C11 C15 -175.5(9) . .
C10 C11 C12 C13 2.8(15) . .
C15 C11 C12 C13 177.4(9) . .
C11 C12 C13 C14 -2.7(15) . .
C11 C12 C13 C16 175.5(9) . .
O1 C9 C14 C13 -175.7(9) . .
C10 C9 C14 C13 1.1(15) . .
C12 C13 C14 C9 0.8(15) . .
C16 C13 C14 C9 -177.4(9) . .
Gd2 O6 C15 O7 5.8(11) . .
Gd2 O6 C15 C11 -174.4(9) . .
Gd2 O7 C15 O6 -5.8(11) . .
K2 O7 C15 O6 89.7(11) . .
Gd2 O7 C15 C11 174.5(9) . .
K2 O7 C15 C11 -90.1(9) . .
K2 O7 C15 Gd2 95.5(4) . .
C12 C11 C15 O6 -29.9(15) . .
C10 C11 C15 O6 144.8(10) . .
C12 C11 C15 O7 149.8(10) . .
C10 C11 C15 O7 -35.4(15) . .
Gd2 O8 C16 O9 -45.1(17) 1_455 .
Gd2 O8 C16 C13 133.5(9) 1_455 .
Gd2 O8 C16 K2 36.3(11) 1_455 2_747
Gd1 O9 C16 O8 -66.5(16) 2_757 .
K2 O9 C16 O8 89.8(11) 2_747 .
Gd1 O9 C16 C13 114.9(9) 2_757 .
K2 O9 C16 C13 -88.8(8) 2_747 .
Gd1 O9 C16 K2 -156.3(8) 2_757 2_747
C14 C13 C16 O8 -4.7(14) . .
C12 C13 C16 O8 177.1(9) . .
C14 C13 C16 O9 174.0(9) . .
C12 C13 C16 O9 -4.2(14) . .
C14 C13 C16 K2 93.8(8) . 2_747
C12 C13 C16 K2 -84.5(9) . 2_747
C25 O10 C17 C18 -135.0(9) . .
C25 O10 C17 C22 52.1(13) . .
O10 C17 C18 C19 -172.1(8) . .
C22 C17 C18 C19 0.9(15) . .
C17 C18 C19 C20 -2.7(15) . .
C17 C18 C19 C23 -177.3(9) . .
C18 C19 C20 C21 3.9(15) . .
C23 C19 C20 C21 177.8(9) . .
C18 C19 C20 C24 179.0(9) . .
C23 C19 C20 C24 -7.1(15) . .
C19 C20 C21 C22 -3.4(15) . .
C24 C20 C21 C22 -178.6(9) . .
C20 C21 C22 C17 1.7(16) . .
C18 C17 C22 C21 -0.5(15) . .
O10 C17 C22 C21 172.2(9) . .
Gd2 O11 C23 O12 7.0(8) 1_464 .
K2 O11 C23 O12 -101.5(8) 2_756 .
Gd2 O11 C23 C19 -168.9(7) 1_464 .
K2 O11 C23 C19 82.6(8) 2_756 .
K2 O11 C23 Gd2 -108.5(4) 2_756 1_464
Gd2 O11 C23 K2 108.5(4) 1_464 2_756
Gd2 O12 C23 O11 -7.4(9) 1_464 .
K2 O12 C23 O11 94.8(9) 1_464 .
Gd2 O12 C23 C19 168.6(6) 1_464 .
K2 O12 C23 C19 -89.2(8) 1_464 .
K2 O12 C23 Gd2 102.2(5) 1_464 1_464
Gd2 O12 C23 K2 -56.1(6) 1_464 2_756
K2 O12 C23 K2 46.1(8) 1_464 2_756
C20 C19 C23 O11 -81.6(13) . .
C18 C19 C23 O11 92.8(10) . .
C20 C19 C23 O12 102.4(11) . .
C18 C19 C23 O12 -83.2(11) . .
C20 C19 C23 Gd2 163(3) . 1_464
C18 C19 C23 Gd2 -22(4) . 1_464
C20 C19 C23 K2 -37.6(11) . 2_756
C18 C19 C23 K2 136.7(7) . 2_756
Gd2 O14 C24 O13 0.6(10) 2_756 .
Gd2 O14 C24 C20 177.4(8) 2_756 .
Gd2 O13 C24 O14 -0.6(10) 2_756 .
K2 O13 C24 O14 -98.1(9) 2_756 .
K2 O13 C24 O14 107.2(9) 1_464 .
Gd2 O13 C24 C20 -177.4(8) 2_756 .
K2 O13 C24 C20 85.1(9) 2_756 .
K2 O13 C24 C20 -69.6(11) 1_464 .
K2 O13 C24 Gd2 -97.5(4) 2_756 2_756
K2 O13 C24 Gd2 107.8(6) 1_464 2_756
C19 C20 C24 O14 -179.5(9) . .
C21 C20 C24 O14 -4.4(14) . .
C19 C20 C24 O13 -2.7(14) . .
C21 C20 C24 O13 172.4(9) . .
C17 O10 C25 C26 39.8(14) . .
C17 O10 C25 C30 -145.7(9) . .
C30 C25 C26 C27 0.9(15) . .
O10 C25 C26 C27 175.0(9) . .
C25 C26 C27 C28 -2.2(15) . .
C25 C26 C27 C31 177.9(9) . .
C26 C27 C28 C29 3.0(15) . .
C31 C27 C28 C29 -177.0(9) . .
C27 C28 C29 C30 -2.6(14) . .
C27 C28 C29 C32 175.0(9) . 1_455
C28 C29 C30 C25 1.3(14) . .
C32 C29 C30 C25 -176.4(8) 1_455 .
C26 C25 C30 C29 -0.5(15) . .
O10 C25 C30 C29 -175.0(8) . .
Gd1 O15 C31 O16 -7.7(10) . .
Gd1 O15 C31 C27 168.5(9) . .
Gd1 O16 C31 O15 7.9(10) . .
K1 O16 C31 O15 107.3(10) . .
Gd1 O16 C31 C27 -168.4(8) . .
K1 O16 C31 C27 -69.1(10) . .
K1 O16 C31 Gd1 99.4(4) . .
C28 C27 C31 O15 -38.1(15) . .
C26 C27 C31 O15 141.8(10) . .
C28 C27 C31 O16 138.1(10) . .
C26 C27 C31 O16 -41.9(14) . .
C28 C27 C31 Gd1 65(4) . .
C26 C27 C31 Gd1 -115(3) . .
Gd1 O18 C32 O17 49(2) . .
K1 O18 C32 O17 -80.1(9) 2_756 .
Gd1 O18 C32 C29 -132.0(14) . 1_655
K1 O18 C32 C29 99.3(8) 2_756 1_655
Gd1 O18 C32 K1 128.7(18) . 2_756
Gd2 O17 C32 O18 -66.3(17) 2_857 .
Gd2 O17 C32 C29 114.2(11) 2_857 1_655
Gd2 O17 C32 K1 -127.3(11) 2_857 2_756
