#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:34:18 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180343 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/12/7201207.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_7201207
loop_
_publ_author_name
'Kajiwara, Takashi'
'Takahashi, Kohei'
'Hiraizumi, Tomonari'
'Takaishi, Shinya'
'Yamashita, Masahiro'
_publ_section_title
;
 Structural correlations between the crystal field and magnetic
 anisotropy of Ln--Cu single-molecule magnets
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              2110
_journal_paper_doi               10.1039/b906182g
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C46 H64 Cu2 Gd2 N14 O32'
_chemical_formula_weight         1766.69
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 99.811(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.4662(14)
_cell_length_b                   18.0741(18)
_cell_length_c                   23.962(2)
_cell_measurement_temperature    100(2)
_cell_volume                     6173.6(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            31364
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    2.906
_exptl_absorpt_correction_T_max  0.5638
_exptl_absorpt_correction_T_min  0.4267
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
G. M. Sheldrick, SADABS. Program for Empirical Absorption
Correction of Area Detector Data; University of Gottingen,
Germany, 1996
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.901
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3520
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.081
_refine_diff_density_min         -0.805
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         7368
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0440P)²+1.9445P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0720
_reflns_number_gt                6571
_reflns_number_total             7368
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906182g.txt
_cod_data_source_block           GdCu_compelx
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'multi scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        6173.4(10)
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               7201207
loop_
_symmetry_equiv_pos_as_xyz
'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, -y, -z'
'x, -y, 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
Gd Gd 0.112188(9) 0.006819(7) 0.144186(5) 0.01244(5) Uani 1 1 d . . .
Cu Cu 0.15503(2) -0.056014(17) 0.284816(12) 0.01295(8) Uani 1 1 d . . .
O1 O 0.07110(13) -0.11872(10) 0.10076(7) 0.0177(4) Uani 1 1 d . . .
O2 O 0.10719(12) -0.09409(10) 0.20918(7) 0.0145(4) Uani 1 1 d . . .
N1 N 0.15471(16) -0.15468(12) 0.32008(9) 0.0159(4) Uani 1 1 d . . .
C1 C 0.0399(2) -0.13063(16) 0.04069(11) 0.0207(6) Uani 1 1 d . . .
H1 H 0.0824 -0.1655 0.0265 0.031 Uiso 1 1 calc R . .
H2 H 0.0401 -0.0835 0.0206 0.031 Uiso 1 1 calc R . .
H3 H -0.0237 -0.1510 0.0344 0.031 Uiso 1 1 calc R . .
C2 C 0.07435(18) -0.18067(14) 0.13518(11) 0.0154(5) Uani 1 1 d . . .
C3 C 0.05667(19) -0.25147(15) 0.11571(11) 0.0180(5) Uani 1 1 d . . .
H4 H 0.0416 -0.2609 0.0762 0.022 Uiso 1 1 calc R . .
C4 C 0.06102(19) -0.30976(15) 0.15463(11) 0.0196(6) Uani 1 1 d . . .
H5 H 0.0457 -0.3586 0.1416 0.024 Uiso 1 1 calc R . .
C5 C 0.08721(19) -0.29659(14) 0.21134(11) 0.0183(5) Uani 1 1 d . . .
H6 H 0.0929 -0.3369 0.2372 0.022 Uiso 1 1 calc R . .
C6 C 0.10593(18) -0.22396(14) 0.23201(11) 0.0145(5) Uani 1 1 d . . .
C7 C 0.09626(17) -0.16464(14) 0.19358(11) 0.0135(5) Uani 1 1 d . . .
C8 C 0.13299(19) -0.21506(14) 0.29228(11) 0.0168(5) Uani 1 1 d . . .
H7 H 0.1351 -0.2590 0.3142 0.020 Uiso 1 1 calc R . .
C9 C 0.1781(2) -0.16023(16) 0.38234(12) 0.0272(7) Uani 1 1 d . . .
H8 H 0.1266 -0.1364 0.3981 0.033 Uiso 1 1 calc R . .
H9 H 0.2352 -0.1301 0.3946 0.033 Uiso 1 1 calc R . .
C10 C 0.1948(3) -0.2342(2) 0.40976(15) 0.0471(10) Uani 1 1 d . . .
H10 H 0.1376 -0.2641 0.4011 0.071 Uiso 1 1 calc R . .
H11 H 0.2116 -0.2280 0.4509 0.071 Uiso 1 1 calc R . .
H12 H 0.2460 -0.2592 0.3954 0.071 Uiso 1 1 calc R . .
O3 O 0.07994(13) 0.13671(10) 0.17110(7) 0.0167(4) Uani 1 1 d . . .
O4 O 0.14743(13) 0.03380(10) 0.24056(7) 0.0146(4) Uani 1 1 d . . .
N2 N 0.26291(16) -0.00816(11) 0.33970(10) 0.0136(4) Uani 1 1 d . . .
H13 H 0.2779 -0.0400 0.3704 0.016 Uiso 1 1 calc R . .
N3 N 0.08717(16) 0.02690(12) 0.38929(9) 0.0148(4) Uani 1 1 d . . .
O5 O 0.02604(13) 0.02561(11) 0.42419(8) 0.0178(4) Uani 1 1 d . . .
O6 O 0.05301(14) 0.00164(9) 0.33785(8) 0.0155(4) Uani 1 1 d . . .
C11 C 0.0302(2) 0.19163(15) 0.13367(11) 0.0197(6) Uani 1 1 d . . .
H14 H -0.0167 0.2159 0.1525 0.030 Uiso 1 1 calc R . .
H15 H -0.0012 0.1676 0.0989 0.030 Uiso 1 1 calc R . .
H16 H 0.0747 0.2286 0.1243 0.030 Uiso 1 1 calc R . .
C12 C 0.12024(18) 0.16060(15) 0.22493(11) 0.0154(5) Uani 1 1 d . . .
C13 C 0.12682(19) 0.23370(15) 0.24127(11) 0.0183(5) Uani 1 1 d . . .
H17 H 0.1024 0.2716 0.2155 0.022 Uiso 1 1 calc R . .
C14 C 0.16979(19) 0.25124(15) 0.29622(12) 0.0193(6) Uani 1 1 d . . .
H18 H 0.1750 0.3014 0.3082 0.023 Uiso 1 1 calc R . .
C15 C 0.20479(18) 0.19531(15) 0.33318(11) 0.0167(5) Uani 1 1 d . . .
H19 H 0.2342 0.2076 0.3705 0.020 Uiso 1 1 calc R . .
C16 C 0.19782(18) 0.12065(14) 0.31672(11) 0.0142(5) Uani 1 1 d . . .
C17 C 0.15583(17) 0.10266(14) 0.26199(10) 0.0127(5) Uani 1 1 d . . .
C18 C 0.23618(18) 0.06416(14) 0.36230(11) 0.0141(5) Uani 1 1 d . . .
H20 H 0.2950 0.0859 0.3841 0.017 Uiso 1 1 calc R . .
C19 C 0.3476(2) -0.00141(14) 0.31275(13) 0.0184(6) Uani 1 1 d . . .
H21 H 0.3982 0.0234 0.3392 0.022 Uiso 1 1 calc R . .
H22 H 0.3329 0.0294 0.2782 0.022 Uiso 1 1 calc R . .
C20 C 0.3809(2) -0.07678(15) 0.29731(12) 0.0202(6) Uani 1 1 d . . .
H23 H 0.3989 -0.1062 0.3318 0.030 Uiso 1 1 calc R . .
H24 H 0.4351 -0.0711 0.2781 0.030 Uiso 1 1 calc R . .
H25 H 0.3301 -0.1019 0.2720 0.030 Uiso 1 1 calc R . .
C21 C 0.17064(19) 0.05333(15) 0.40373(11) 0.0158(5) Uani 1 1 d . . .
H26 H 0.187(2) 0.0677(16) 0.4369(12) 0.011(7) Uiso 1 1 d . . .
O7 O 0.13745(13) 0.10650(11) 0.06776(8) 0.0209(4) Uani 1 1 d . . .
O8 O 0.17965(15) -0.00599(10) 0.05529(9) 0.0204(4) Uani 1 1 d . . .
N4 N 0.17531(16) 0.06157(13) 0.03873(10) 0.0194(5) Uani 1 1 d . . .
O9 O 0.20781(15) 0.08045(12) -0.00328(8) 0.0268(5) Uani 1 1 d . . .
O10 O 0.27592(14) 0.06544(11) 0.15862(8) 0.0229(4) Uani 1 1 d . . .
O11 O 0.27013(14) -0.05394(11) 0.16505(8) 0.0217(4) Uani 1 1 d . . .
N5 N 0.31965(18) 0.00442(14) 0.16378(11) 0.0229(6) Uani 1 1 d . . .
O12 O 0.40488(17) 0.00097(13) 0.16697(12) 0.0380(6) Uani 1 1 d . . .
O13 O 0.3901(2) 0.02194(17) 0.48896(16) 0.0624(9) Uani 1 1 d . . .
O14 O 0.39244(18) -0.07738(18) 0.44290(10) 0.0524(8) Uani 1 1 d . . .
N6 N 0.3989(2) -0.04499(18) 0.48666(13) 0.0370(7) Uani 1 1 d . . .
C22 C 0.4208(3) -0.0852(2) 0.54026(14) 0.0457(10) Uani 1 1 d . . .
H27 H 0.3694 -0.1192 0.5438 0.069 Uiso 1 1 calc R . .
H28 H 0.4289 -0.0500 0.5718 0.069 Uiso 1 1 calc R . .
H29 H 0.4789 -0.1134 0.5411 0.069 Uiso 1 1 calc R . .
O15 O 0.3003(2) 0.18451(16) 0.47696(10) 0.0522(7) Uani 1 1 d . . .
O16 O 0.43587(19) 0.20476(15) 0.52902(11) 0.0479(7) Uani 1 1 d . . .
N7 N 0.3548(2) 0.17929(15) 0.52166(11) 0.0337(6) Uani 1 1 d . . .
C23 C 0.3230(3) 0.14516(19) 0.57044(13) 0.0377(8) Uani 1 1 d . . .
H30 H 0.3772 0.1350 0.6000 0.057 Uiso 1 1 calc R . .
H31 H 0.2904 0.0987 0.5587 0.057 Uiso 1 1 calc R . .
H32 H 0.2800 0.1789 0.5853 0.057 Uiso 1 1 calc 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'
Cu Cu 0.3201 1.2651 '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
_geom_angle_publ_flag
O4 Gd O5 131.88(6) . 2 ?
O4 Gd O2 62.81(6) . . ?
O5 Gd O2 116.00(6) 2 . ?
O4 Gd O3 64.32(6) . . ?
O5 Gd O3 82.64(6) 2 . ?
O2 Gd O3 121.15(6) . . ?
O4 Gd O8 144.34(7) . . ?
O5 Gd O8 80.28(7) 2 . ?
O2 Gd O8 122.69(6) . . ?
O3 Gd O8 115.08(6) . . ?
O4 Gd O6 83.76(6) . 2 ?
O5 Gd O6 53.80(6) 2 2 ?
O2 Gd O6 74.06(6) . 2 ?
O3 Gd O6 76.41(6) . 2 ?
O8 Gd O6 131.77(7) . 2 ?
O4 Gd O11 81.72(6) . . ?
O5 Gd O11 145.96(6) 2 . ?
O2 Gd O11 70.49(6) . . ?
O3 Gd O11 124.31(6) . . ?
O8 Gd O11 69.80(6) . . ?
O6 Gd O11 144.51(6) 2 . ?
O4 Gd O1 126.37(6) . . ?
O5 Gd O1 74.56(6) 2 . ?
O2 Gd O1 63.56(6) . . ?
O3 Gd O1 155.41(6) . . ?
O8 Gd O1 70.39(6) . . ?
O6 Gd O1 82.68(6) 2 . ?
O11 Gd O1 80.28(6) . . ?
O4 Gd O10 74.85(6) . . ?
O5 Gd O10 132.95(6) 2 . ?
O2 Gd O10 110.78(6) . . ?
O3 Gd O10 77.63(6) . . ?
O8 Gd O10 70.58(7) . . ?
O6 Gd O10 151.66(6) 2 . ?
O11 Gd O10 50.55(7) . . ?
O1 Gd O10 125.05(6) . . ?
O4 Gd O7 120.81(6) . . ?
O5 Gd O7 67.96(6) 2 . ?
O2 Gd O7 171.63(6) . . ?
O3 Gd O7 65.90(6) . . ?
O8 Gd O7 49.58(6) . . ?
O6 Gd O7 113.23(6) 2 . ?
O11 Gd O7 102.02(6) . . ?
O1 Gd O7 112.23(6) . . ?
O10 Gd O7 65.00(6) . . ?
O4 Gd N3 106.80(6) . 2 ?
O5 Gd N3 26.89(6) 2 2 ?
O2 Gd N3 97.85(6) . 2 ?
O3 Gd N3 74.43(6) . 2 ?
O8 Gd N3 106.97(7) . 2 ?
O6 Gd N3 27.42(6) 2 2 ?
O11 Gd N3 160.98(7) . 2 ?
O1 Gd N3 81.04(6) . 2 ?
O10 Gd N3 147.49(6) . 2 ?
O7 Gd N3 88.35(6) . 2 ?
O4 Gd N5 78.52(7) . . ?
O5 Gd N5 145.17(7) 2 . ?
O2 Gd N5 91.59(6) . . ?
O3 Gd N5 101.64(6) . . ?
O8 Gd N5 66.49(7) . . ?
O6 Gd N5 161.00(7) 2 . ?
O11 Gd N5 25.38(6) . . ?
O1 Gd N5 102.33(7) . . ?
O10 Gd N5 25.25(6) . . ?
O7 Gd N5 82.15(6) . . ?
N3 Gd N5 170.49(7) 2 . ?
O4 Cu O2 78.96(7) . . ?
O4 Cu N1 171.96(8) . . ?
O2 Cu N1 93.02(8) . . ?
O4 Cu N2 87.91(8) . . ?
O2 Cu N2 148.64(8) . . ?
N1 Cu N2 99.41(9) . . ?
O4 Cu O6 86.67(7) . . ?
O2 Cu O6 120.18(7) . . ?
N1 Cu O6 96.99(8) . . ?
N2 Cu O6 86.89(8) . . ?
O4 Cu Gd 38.45(5) . . ?
O2 Cu Gd 41.05(5) . . ?
N1 Cu Gd 133.67(6) . . ?
N2 Cu Gd 117.99(6) . . ?
O6 Cu Gd 110.58(5) . . ?
C2 O1 C1 116.4(2) . . ?
C2 O1 Gd 119.92(15) . . ?
C1 O1 Gd 123.67(15) . . ?
C7 O2 Cu 127.23(16) . . ?
C7 O2 Gd 124.03(15) . . ?
Cu O2 Gd 106.77(7) . . ?
C8 N1 C9 117.3(2) . . ?
C8 N1 Cu 124.18(18) . . ?
C9 N1 Cu 118.51(17) . . ?
C3 C2 O1 124.5(2) . . ?
C3 C2 C7 121.8(2) . . ?
O1 C2 C7 113.8(2) . . ?
C2 C3 C4 119.4(2) . . ?
C5 C4 C3 120.3(2) . . ?
C4 C5 C6 120.9(2) . . ?
C7 C6 C5 119.2(2) . . ?
C7 C6 C8 123.5(2) . . ?
C5 C6 C8 117.3(2) . . ?
O2 C7 C6 123.6(2) . . ?
O2 C7 C2 118.1(2) . . ?
C6 C7 C2 118.3(2) . . ?
N1 C8 C6 127.9(2) . . ?
N1 C9 C10 119.9(3) . . ?
C12 O3 C11 116.6(2) . . ?
C12 O3 Gd 117.63(15) . . ?
C11 O3 Gd 125.47(15) . . ?
C17 O4 Cu 125.13(15) . . ?
C17 O4 Gd 124.25(15) . . ?
Cu O4 Gd 110.52(8) . . ?
C19 N2 C18 111.74(19) . . ?
C19 N2 Cu 110.48(17) . . ?
C18 N2 Cu 112.72(16) . . ?
C21 N3 O5 122.4(2) . . ?
C21 N3 O6 124.0(2) . . ?
O5 N3 O6 113.5(2) . . ?
C21 N3 Gd 165.49(19) . 2 ?
O5 N3 Gd 54.97(12) . 2 ?
O6 N3 Gd 60.13(12) . 2 ?
N3 O5 Gd 98.14(14) . 2 ?
N3 O6 Cu 119.07(15) . . ?
N3 O6 Gd 92.45(14) . 2 ?
Cu O6 Gd 144.73(8) . 2 ?
C13 C12 O3 124.0(2) . . ?
C13 C12 C17 122.2(2) . . ?
O3 C12 C17 113.8(2) . . ?
C12 C13 C14 119.0(2) . . ?
C15 C14 C13 119.7(2) . . ?
C14 C15 C16 121.5(2) . . ?
C17 C16 C15 119.3(2) . . ?
C17 C16 C18 124.5(2) . . ?
C15 C16 C18 116.2(2) . . ?
O4 C17 C16 125.1(2) . . ?
O4 C17 C12 116.6(2) . . ?
C16 C17 C12 118.3(2) . . ?
N2 C18 C21 111.0(2) . . ?
N2 C18 C16 114.3(2) . . ?
C21 C18 C16 111.5(2) . . ?
N2 C19 C20 110.7(2) . . ?
N3 C21 C18 122.7(2) . . ?
N4 O7 Gd 93.90(14) . . ?
N4 O8 Gd 99.78(15) . . ?
O9 N4 O7 122.6(2) . . ?
O9 N4 O8 120.8(2) . . ?
O7 N4 O8 116.6(2) . . ?
N5 O10 Gd 95.05(16) . . ?
N5 O11 Gd 97.42(15) . . ?
O12 N5 O10 122.1(3) . . ?
O12 N5 O11 121.3(2) . . ?
O10 N5 O11 116.6(2) . . ?
O12 N5 Gd 174.2(2) . . ?
O10 N5 Gd 59.70(14) . . ?
O11 N5 Gd 57.20(13) . . ?
O14 N6 O13 122.3(3) . . ?
O14 N6 C22 120.1(3) . . ?
O13 N6 C22 117.5(3) . . ?
O15 N7 O16 123.3(3) . . ?
O15 N7 C23 119.2(3) . . ?
O16 N7 C23 117.4(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd O4 2.3301(17) . ?
Gd O5 2.3836(19) 2 ?
Gd O2 2.4073(17) . ?
Gd O3 2.4995(18) . ?
Gd O8 2.500(2) . ?
Gd O6 2.501(2) 2 ?
Gd O11 2.5074(19) . ?
Gd O1 2.5246(18) . ?
Gd O10 2.564(2) . ?
Gd O7 2.6384(19) . ?
Gd N3 2.882(2) 2 ?
Gd N5 2.958(3) . ?
Cu O4 1.9319(18) . ?
Cu O2 1.9519(17) . ?
Cu N1 1.974(2) . ?
Cu N2 2.053(2) . ?
Cu O6 2.3490(19) . ?
O1 C2 1.387(3) . ?
O1 C1 1.449(3) . ?
O2 C7 1.331(3) . ?
N1 C8 1.289(3) . ?
N1 C9 1.476(3) . ?
C2 C3 1.371(4) . ?
C2 C7 1.411(4) . ?
C3 C4 1.401(4) . ?
C4 C5 1.368(4) . ?
C5 C6 1.413(4) . ?
C6 C7 1.405(4) . ?
C6 C8 1.439(4) . ?
C9 C10 1.492(4) . ?
O3 C12 1.391(3) . ?
O3 C11 1.445(3) . ?
O4 C17 1.344(3) . ?
N2 C19 1.484(4) . ?
N2 C18 1.491(3) . ?
N3 C21 1.290(4) . ?
N3 O5 1.317(3) . ?
N3 O6 1.328(3) . ?
N3 Gd 2.882(2) 2 ?
O5 Gd 2.3836(19) 2 ?
O6 Gd 2.501(2) 2 ?
C12 C13 1.377(4) . ?
C12 C17 1.412(4) . ?
C13 C14 1.393(4) . ?
C14 C15 1.382(4) . ?
C15 C16 1.405(4) . ?
C16 C17 1.387(4) . ?
C16 C18 1.529(4) . ?
C18 C21 1.498(4) . ?
C19 C20 1.511(4) . ?
O7 N4 1.254(3) . ?
O8 N4 1.282(3) . ?
N4 O9 1.230(3) . ?
O10 N5 1.267(3) . ?
O11 N5 1.278(3) . ?
N5 O12 1.224(4) . ?
O13 N6 1.219(4) . ?
O14 N6 1.191(4) . ?
N6 C22 1.463(4) . ?
O15 N7 1.221(4) . ?
O16 N7 1.244(4) . ?
N7 C23 1.464(4) . ?
