#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:45:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179934 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/29/7022928.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_7022928
loop_
_publ_author_name
'Ma, Ming-Li'
'Ji, Can'
'Zang, Shuang-Quan'
_publ_section_title
;
 Syntheses, structures, tunable emission and white light emitting Eu3+ and
 Tb3+ doped lanthanide metal-organic framework materials.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10579
_journal_page_last               10586
_journal_paper_doi               10.1039/c3dt50315a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety
'2(C17 H8 Gd O9), 2(C2 H8 N), 3(H O0.50), H O0.50'
_chemical_formula_sum            'C38 H38 Gd2 N2 O21'
_chemical_formula_weight         1173.20
_chemical_name_systematic
;

?

;
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.6484(8)
_cell_length_b                   16.4358(7)
_cell_length_c                   16.5923(8)
_cell_measurement_reflns_used    2437
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.2858
_cell_measurement_theta_min      3.0340
_cell_volume                     3994.7(3)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0523
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5307
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.49
_exptl_absorpt_coefficient_mu    3.383
_exptl_absorpt_correction_T_max  0.5658
_exptl_absorpt_correction_T_min  0.5369
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.872
_refine_diff_density_min         -1.416
_refine_diff_density_rms         0.196
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         3241
_refine_ls_number_restraints     157
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0528
_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)+(0.0790P)²+58.9490P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1342
_refine_ls_wR_factor_ref         0.1372
_reflns_number_gt                2982
_reflns_number_total             3241
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50315a.txt
_cod_data_source_block           a2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C222(1)
_cod_database_code               7022928
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.83793(5) 1.0000 0.5000 0.0221(2) Uani 1 2 d SU . .
Gd2 Gd 1.0000 0.83214(5) 0.7500 0.0222(2) Uani 1 2 d SU . .
O1 O 0.9446(8) 0.9034(7) 0.5245(6) 0.047(2) Uani 1 1 d U . .
O2 O 1.0435(6) 0.8563(5) 0.6156(5) 0.031(2) Uani 1 1 d U . .
O3 O 1.2238(11) 0.5711(9) 0.4164(9) 0.080(4) Uani 1 1 d U . .
O4 O 1.2349(10) 0.6164(8) 0.5348(8) 0.066(3) Uani 1 1 d U . .
O5 O 1.0352(9) 0.7670(9) 0.2634(11) 0.070(3) Uani 0.50 1 d PDU A -1
C5' C 1.0352(9) 0.7670(9) 0.2634(11) 0.070(3) Uani 0.50 1 d PU A -1
H5'A H 1.0644 0.7203 0.2400 0.084 Uiso 0.50 1 d PR A -1
H5'B H 1.0644 0.8136 0.2401 0.084 Uiso 0.50 1 d PR A -1
O6 O 0.8687(6) 1.0337(5) 0.6353(5) 0.0281(18) Uani 1 1 d U . .
O7 O 0.8978(9) 0.9340(7) 0.7228(6) 0.053(3) Uani 1 1 d U . .
O8 O 0.6431(7) 1.2524(7) 0.7242(6) 0.050(3) Uani 1 1 d U . .
O9 O 0.5678(10) 1.2226(8) 0.8329(7) 0.066(4) Uani 1 1 d U . .
O10 O 0.7605(10) 1.0297(9) 0.9858(10) 0.071(3) Uani 0.50 1 d PDU B -1
C10' C 0.7605(10) 1.0297(9) 0.9858(10) 0.071(3) Uani 0.50 1 d PU B -1
H10A H 0.7025 1.0516 1.0016 0.085 Uiso 0.50 1 d PR B -1
H10B H 0.8047 1.0588 1.0174 0.085 Uiso 0.50 1 d PR B -1
O1W O 0.0460(17) 0.5662(15) 0.6236(19) 0.170(9) Uani 1 1 d U . .
H1WA H 0.0162 0.6056 0.6341 0.254 Uiso 1 1 d R . .
H1WB H 0.0951 0.5785 0.5992 0.254 Uiso 1 1 d R . .
O2W O -0.044(4) 0.5000 0.5000 0.156 Uani 0.50 2 d SPU . .
H2WB H -0.0149 0.5212 0.5387 0.234 Uiso 0.50 1 d PR . .
O3W O 0.0000 0.472(4) 0.7500 0.161 Uani 0.50 2 d SPU . .
H3WB H 0.0141 0.4964 0.7141 0.241 Uiso 0.50 1 d PR . .
N1 N 0.7872(17) 0.2946(15) 0.6401(17) 0.155 Uani 1 1 d DU . .
H1A H 0.7992 0.2625 0.6828 0.186 Uiso 1 1 calc R . .
H1B H 0.7266 0.2936 0.6313 0.186 Uiso 1 1 calc R . .
C1 C 1.0085(12) 0.8591(9) 0.5454(8) 0.045(2) Uani 1 1 d U . .
C2 C 1.2011(10) 0.6196(11) 0.4660(10) 0.047(4) Uani 1 1 d U . .
C3 C 1.0495(8) 0.8052(7) 0.4836(7) 0.027(2) Uani 1 1 d DU . .
C4 C 1.1095(7) 0.7427(7) 0.5052(11) 0.033(3) Uani 1 1 d DU . .
H4 H 1.1261 0.7354 0.5588 0.040 Uiso 1 1 calc R . .
C5 C 1.1444(10) 0.6912(8) 0.4455(9) 0.042(3) Uani 1 1 d DU . .
C6 C 1.1216(12) 0.7054(12) 0.3671(11) 0.065(5) Uani 1 1 d DU A .
H6 H 1.1457 0.6722 0.3270 0.078 Uiso 1 1 calc R . .
C7 C 1.0627(13) 0.7691(13) 0.3454(11) 0.071(6) Uani 1 1 d DU . .
C8 C 1.0240(9) 0.8148(10) 0.4036(9) 0.047(4) Uani 1 1 d DU A .
H8 H 0.9798 0.8530 0.3900 0.057 Uiso 1 1 calc R . .
C9 C 0.8650(9) 1.0019(10) 0.7039(7) 0.035(3) Uani 1 1 d U . .
C10 C 0.6274(10) 1.2070(7) 0.7868(8) 0.029(3) Uani 1 1 d U . .
C11 C 0.8115(8) 1.0463(7) 0.7679(7) 0.028(3) Uani 1 1 d DU . .
C12 C 0.7540(8) 1.1081(6) 0.7473(10) 0.032(2) Uani 1 1 d DU . .
H12 H 0.7503 1.1257 0.6941 0.038 Uiso 1 1 calc R . .
C13 C 0.7010(10) 1.1445(7) 0.8069(8) 0.037(3) Uani 1 1 d DU . .
C14 C 0.7097(13) 1.1195(11) 0.8872(10) 0.064(6) Uani 1 1 d DU B .
H14 H 0.6770 1.1399 0.9218 0.077 Uiso 1 1 d R . .
C15 C 0.7728(12) 1.0610(11) 0.9089(11) 0.053(3) Uani 1 1 d DU . .
C16 C 0.8195(13) 1.0175(12) 0.8464(9) 0.068(6) Uani 1 1 d U B .
H16 H 0.8541 0.9715 0.8579 0.081 Uiso 1 1 calc R . .
C18 C 0.836(3) 0.2626(17) 0.5678(19) 0.158(3) Uani 1 1 d DU . .
H18A H 0.8440 0.3010 0.5343 0.237 Uiso 1 1 d R . .
H18B H 0.7996 0.2207 0.5434 0.237 Uiso 1 1 d R . .
H18C H 0.8872 0.2431 0.5818 0.237 Uiso 1 1 d R . .
C17 C 0.817(2) 0.3794(16) 0.6580(19) 0.159(3) Uani 1 1 d DU . .
H17A H 0.8666 0.3936 0.6233 0.238 Uiso 1 1 d R . .
H17B H 0.8353 0.3813 0.7097 0.238 Uiso 1 1 d R . .
H17C H 0.7732 0.4130 0.6512 0.238 Uiso 1 1 d R . .
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'
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 Gd1 O1 92.7(6) 3_576 .
O1 Gd1 O6 82.8(3) 3_576 .
O1 Gd1 O6 82.1(3) . .
O1 Gd1 O6 82.1(3) 3_576 3_576
O1 Gd1 O6 82.8(3) . 3_576
O6 Gd1 O6 158.0(4) . 3_576
O1 Gd1 O3 92.0(5) 3_576 5_455
O1 Gd1 O3 154.3(4) . 5_455
O6 Gd1 O3 123.6(4) . 5_455
O6 Gd1 O3 72.8(4) 3_576 5_455
O1 Gd1 O3 154.3(4) 3_576 7_466
O1 Gd1 O3 92.0(5) . 7_466
O6 Gd1 O3 72.9(4) . 7_466
O6 Gd1 O3 123.6(4) 3_576 7_466
O3 Gd1 O3 94.7(9) 5_455 7_466
O1 Gd1 O4 85.5(5) 3_576 5_455
O1 Gd1 O4 155.5(4) . 5_455
O6 Gd1 O4 73.5(4) . 5_455
O6 Gd1 O4 121.0(4) 3_576 5_455
O3 Gd1 O4 50.2(4) 5_455 5_455
O3 Gd1 O4 79.8(5) 7_466 5_455
O1 Gd1 O4 155.5(4) 3_576 7_466
O1 Gd1 O4 85.5(5) . 7_466
O6 Gd1 O4 121.0(4) . 7_466
O6 Gd1 O4 73.5(4) 3_576 7_466
O3 Gd1 O4 79.8(5) 5_455 7_466
O3 Gd1 O4 50.2(4) 7_466 7_466
O4 Gd1 O4 105.9(7) 5_455 7_466
O1 Gd1 C2 88.1(4) 3_576 5_455
O1 Gd1 C2 178.6(4) . 5_455
O6 Gd1 C2 99.2(4) . 5_455
O6 Gd1 C2 96.2(4) 3_576 5_455
O3 Gd1 C2 24.4(4) 5_455 5_455
O3 Gd1 C2 87.8(5) 7_466 5_455
O4 Gd1 C2 25.7(4) 5_455 5_455
O4 Gd1 C2 93.3(5) 7_466 5_455
O1 Gd1 C2 178.6(4) 3_576 7_466
O1 Gd1 C2 88.1(4) . 7_466
O6 Gd1 C2 96.2(4) . 7_466
O6 Gd1 C2 99.2(4) 3_576 7_466
O3 Gd1 C2 87.8(5) 5_455 7_466
O3 Gd1 C2 24.4(4) 7_466 7_466
O4 Gd1 C2 93.3(5) 5_455 7_466
O4 Gd1 C2 25.7(4) 7_466 7_466
C2 Gd1 C2 91.2(7) 5_455 7_466
O7 Gd2 O7 86.0(7) 4_756 .
O7 Gd2 O2 82.4(3) 4_756 4_756
O7 Gd2 O2 83.5(3) . 4_756
O7 Gd2 O2 83.5(3) 4_756 .
O7 Gd2 O2 82.4(3) . .
O2 Gd2 O2 160.6(4) 4_756 .
O7 Gd2 O9 154.7(4) 4_756 8_646
O7 Gd2 O9 99.2(5) . 8_646
O2 Gd2 O9 122.8(3) 4_756 8_646
O2 Gd2 O9 72.8(3) . 8_646
O7 Gd2 O9 99.2(5) 4_756 5_545
O7 Gd2 O9 154.7(4) . 5_545
O2 Gd2 O9 72.8(3) 4_756 5_545
O2 Gd2 O9 122.8(3) . 5_545
O9 Gd2 O9 86.6(7) 8_646 5_545
O7 Gd2 O8 153.4(3) 4_756 8_646
O7 Gd2 O8 82.5(4) . 8_646
O2 Gd2 O8 72.6(3) 4_756 8_646
O2 Gd2 O8 118.4(3) . 8_646
O9 Gd2 O8 51.6(3) 8_646 8_646
O9 Gd2 O8 82.0(5) 5_545 8_646
O7 Gd2 O8 82.5(4) 4_756 5_545
O7 Gd2 O8 153.4(3) . 5_545
O2 Gd2 O8 118.4(3) 4_756 5_545
O2 Gd2 O8 72.6(3) . 5_545
O9 Gd2 O8 82.0(5) 8_646 5_545
O9 Gd2 O8 51.6(3) 5_545 5_545
O8 Gd2 O8 117.0(5) 8_646 5_545
O7 Gd2 C10 178.8(4) 4_756 8_646
O7 Gd2 C10 93.3(4) . 8_646
O2 Gd2 C10 98.5(3) 4_756 8_646
O2 Gd2 C10 95.5(3) . 8_646
O9 Gd2 C10 24.6(4) 8_646 8_646
O9 Gd2 C10 81.8(5) 5_545 8_646
O8 Gd2 C10 27.2(3) 8_646 8_646
O8 Gd2 C10 97.7(4) 5_545 8_646
O7 Gd2 C10 93.3(4) 4_756 5_545
O7 Gd2 C10 178.8(4) . 5_545
O2 Gd2 C10 95.5(3) 4_756 5_545
O2 Gd2 C10 98.5(3) . 5_545
O9 Gd2 C10 81.8(5) 8_646 5_545
O9 Gd2 C10 24.6(4) 5_545 5_545
O8 Gd2 C10 97.7(4) 8_646 5_545
O8 Gd2 C10 27.2(3) 5_545 5_545
C10 Gd2 C10 87.4(6) 8_646 5_545
C1 O1 Gd1 170.5(11) . .
C1 O2 Gd2 139.8(10) . .
C2 O3 Gd1 96.8(11) . 5_545
C2 O4 Gd1 93.4(10) . 5_545
C7 O5 H5'A 106.4 . .
C7 O5 H5'B 103.9 . .
H5'A O5 H5'B 106.0 . .
C9 O6 Gd1 139.3(9) . .
C9 O7 Gd2 161.8(11) . .
C10 O8 Gd2 90.9(8) . 5_455
C10 O9 Gd2 95.4(8) . 5_455
C15 O10 H10A 103.1 . .
C15 O10 H10B 103.3 . .
H10A O10 H10B 105.2 . .
H1WA O1W H1WB 111.8 . .
C18 N1 C17 110.6(2) . .
C18 N1 H1A 109.5 . .
C17 N1 H1A 109.5 . .
C18 N1 H1B 109.5 . .
C17 N1 H1B 109.5 . .
H1A N1 H1B 108.1 . .
O1 C1 O2 125.6(13) . .
O1 C1 C3 117.8(12) . .
O2 C1 C3 116.6(12) . .
O3 C2 O4 119.5(16) . .
O3 C2 C5 122.1(15) . .
O4 C2 C5 117.8(15) . .
O3 C2 Gd1 58.7(9) . 5_545
O4 C2 Gd1 60.8(9) . 5_545
C5 C2 Gd1 169.7(11) . 5_545
C8 C3 C4 119.8(13) . .
C8 C3 C1 119.0(11) . .
C4 C3 C1 121.2(12) . .
C3 C4 C5 119.6(15) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
C6 C5 C4 118.8(14) . .
C6 C5 C2 119.6(13) . .
C4 C5 C2 121.6(14) . .
C5 C6 C7 121.6(14) . .
C5 C6 H6 119.2 . .
C7 C6 H6 119.2 . .
C8 C7 C6 119.3(16) . .
C8 C7 O5 125.5(15) . .
C6 C7 O5 113.7(15) . .
C7 C8 C3 120.6(13) . .
C7 C8 H8 119.7 . .
C3 C8 H8 119.7 . .
O6 C9 O7 125.6(12) . .
O6 C9 C11 117.3(12) . .
O7 C9 C11 117.0(11) . .
O9 C10 O8 121.3(12) . .
O9 C10 C13 121.7(12) . .
O8 C10 C13 115.8(12) . .
O9 C10 Gd2 60.0(7) . 5_455
O8 C10 Gd2 61.9(7) . 5_455
C13 C10 Gd2 175.9(10) . 5_455
C12 C11 C16 122.7(13) . .
C12 C11 C9 120.4(12) . .
C16 C11 C9 116.8(12) . .
C11 C12 C13 119.1(14) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
C12 C13 C14 119.9(13) . .
C12 C13 C10 121.9(12) . .
C14 C13 C10 118.0(12) . .
C15 C14 C13 120.9(14) . .
C15 C14 H14 119.5 . .
C13 C14 H14 119.6 . .
C14 C15 O10 114.3(16) . .
C14 C15 C16 118.4(15) . .
O10 C15 C16 122.9(16) . .
C11 C16 C15 117.9(14) . .
C11 C16 H16 121.0 . .
C15 C16 H16 121.0 . .
N1 C18 H18A 109.5 . .
N1 C18 H18B 109.3 . .
H18A C18 H18B 109.5 . .
N1 C18 H18C 109.7 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N1 C17 H17A 109.1 . .
N1 C17 H17B 108.0 . .
H17A C17 H17B 109.5 . .
N1 C17 H17C 111.3 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1 2.264(10) 3_576
Gd1 O1 2.264(10) .
Gd1 O6 2.357(9) .
Gd1 O6 2.357(9) 3_576
Gd1 O3 2.466(13) 5_455
Gd1 O3 2.466(13) 7_466
Gd1 O4 2.505(13) 5_455
Gd1 O4 2.505(14) 7_466
Gd1 C2 2.864(16) 5_455
Gd1 C2 2.864(16) 7_466
Gd2 O7 2.291(10) 4_756
Gd2 O7 2.291(10) .
Gd2 O2 2.354(9) 4_756
Gd2 O2 2.354(9) .
Gd2 O9 2.473(10) 8_646
Gd2 O9 2.473(10) 5_545
Gd2 O8 2.509(10) 8_646
Gd2 O8 2.509(10) 5_545
Gd2 C10 2.844(13) 8_646
Gd2 C10 2.844(13) 5_545
O1 C1 1.235(17) .
O2 C1 1.273(16) .
O3 C2 1.193(19) .
O3 Gd1 2.466(13) 5_545
O4 C2 1.246(19) .
O4 Gd1 2.505(13) 5_545
O5 C7 1.42(2) .
O5 H5'A 0.9599 .
O5 H5'B 0.9600 .
O6 C9 1.253(16) .
O7 C9 1.254(17) .
O8 C10 1.299(14) .
O8 Gd2 2.509(10) 5_455
O9 C10 1.188(17) .
O9 Gd2 2.473(10) 5_455
O10 C15 1.39(2) .
O10 H10A 0.9598 .
O10 H10B 0.9600 .
O1W H1WA 0.8000 .
O1W H1WB 0.8495 .
O2W H2WB 0.8500 .
O3W H3WB 0.7499 .
N1 C18 1.489(2) .
N1 C17 1.490(2) .
N1 H1A 0.9000 .
N1 H1B 0.9000 .
C1 C3 1.482(18) .
C2 C5 1.48(2) .
C2 Gd1 2.864(16) 5_545
C3 C8 1.389(18) .
C3 C4 1.399(17) .
C4 C5 1.40(2) .
C4 H4 0.9300 .
C5 C6 1.36(2) .
C6 C7 1.40(3) .
C6 H6 0.9300 .
C7 C8 1.35(2) .
C8 H8 0.9300 .
C9 C11 1.508(17) .
C10 C13 1.526(18) .
C10 Gd2 2.844(13) 5_455
C11 C12 1.362(17) .
C11 C16 1.391(19) .
C12 C13 1.39(2) .
C12 H12 0.9300 .
C13 C14 1.40(2) .
C14 C15 1.38(2) .
C14 H14 0.8201 .
C15 C16 1.43(2) .
C16 H16 0.9300 .
C18 H18A 0.8500 .
C18 H18B 0.9599 .
C18 H18C 0.8501 .
C17 H17A 0.9600 .
C17 H17B 0.9000 .
C17 H17C 0.8499 .
