#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:34:18 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180343 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/12/7201208.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_7201208
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 N14 O32 Tb2'
_chemical_formula_weight         1770.03
_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                 99.718(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.459(3)
_cell_length_b                   18.079(4)
_cell_length_c                   23.943(5)
_cell_measurement_temperature    100(2)
_cell_volume                     6169(2)
_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 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.1243
_diffrn_reflns_av_sigmaI/netI    0.1032
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            35944
_diffrn_reflns_theta_full        30.07
_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    3.050
_exptl_absorpt_correction_T_max  0.5709
_exptl_absorpt_correction_T_min  0.4023
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3528
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.541
_refine_diff_density_min         -1.044
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.831
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         9000
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.831
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0366
_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)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0724
_reflns_number_gt                6380
_reflns_number_total             9000
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906182g.txt
_cod_data_source_block           TbCu_complex
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               7201208
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
Tb Tb 0.112339(12) 0.006891(8) 0.144546(6) 0.01401(5) Uani 1 1 d . . .
Cu Cu 0.15492(3) -0.05576(2) 0.284685(16) 0.01435(9) Uani 1 1 d . . .
O1 O 0.07038(18) -0.11792(12) 0.10051(9) 0.0190(5) Uani 1 1 d . . .
O2 O 0.10706(17) -0.09344(12) 0.20891(9) 0.0162(5) Uani 1 1 d . . .
N1 N 0.1553(2) -0.15445(15) 0.31988(11) 0.0164(6) Uani 1 1 d . . .
C1 C 0.0392(3) -0.1300(2) 0.04035(13) 0.0226(8) Uani 1 1 d . . .
H1 H 0.0841 -0.1621 0.0256 0.034 Uiso 1 1 calc R . .
H2 H 0.0352 -0.0824 0.0205 0.034 Uiso 1 1 calc R . .
H3 H -0.0227 -0.1536 0.0344 0.034 Uiso 1 1 calc R . .
C2 C 0.0742(3) -0.17986(18) 0.13495(14) 0.0169(7) Uani 1 1 d . . .
C3 C 0.0566(3) -0.25081(19) 0.11559(15) 0.0198(7) Uani 1 1 d . . .
H4 H 0.0414 -0.2602 0.0761 0.024 Uiso 1 1 calc R . .
C4 C 0.0611(3) -0.30941(18) 0.15430(14) 0.0206(8) Uani 1 1 d . . .
H5 H 0.0462 -0.3582 0.1411 0.025 Uiso 1 1 calc R . .
C5 C 0.0870(3) -0.29641(18) 0.21134(15) 0.0198(7) Uani 1 1 d . . .
H6 H 0.0922 -0.3365 0.2373 0.024 Uiso 1 1 calc R . .
C6 C 0.1060(2) -0.22349(17) 0.23146(13) 0.0150(7) Uani 1 1 d . . .
C7 C 0.0963(2) -0.16415(17) 0.19337(13) 0.0132(7) Uani 1 1 d . . .
C8 C 0.1334(3) -0.21459(18) 0.29236(14) 0.0175(7) Uani 1 1 d . . .
H7 H 0.1353 -0.2585 0.3144 0.021 Uiso 1 1 calc R . .
C9 C 0.1796(3) -0.1600(2) 0.38207(14) 0.0271(9) Uani 1 1 d . . .
H8 H 0.1288 -0.1356 0.3982 0.033 Uiso 1 1 calc R . .
H9 H 0.2372 -0.1305 0.3939 0.033 Uiso 1 1 calc R . .
C10 C 0.1954(4) -0.2339(3) 0.40924(18) 0.0474(13) Uani 1 1 d . . .
H10 H 0.1375 -0.2630 0.4013 0.071 Uiso 1 1 calc R . .
H11 H 0.2138 -0.2278 0.4503 0.071 Uiso 1 1 calc R . .
H12 H 0.2454 -0.2597 0.3941 0.071 Uiso 1 1 calc R . .
O3 O 0.07962(17) 0.13664(12) 0.17056(9) 0.0174(5) Uani 1 1 d . . .
O4 O 0.14751(17) 0.03400(12) 0.24016(9) 0.0160(5) Uani 1 1 d . . .
N2 N 0.2623(2) -0.00759(14) 0.33946(11) 0.0153(6) Uani 1 1 d . . .
H13 H 0.2771 -0.0393 0.3703 0.018 Uiso 1 1 calc R . .
N3 N 0.0860(2) 0.02723(15) 0.38876(11) 0.0154(6) Uani 1 1 d . . .
O5 O 0.02378(17) 0.02631(13) 0.42342(9) 0.0188(5) Uani 1 1 d . . .
O6 O 0.05212(16) 0.00158(12) 0.33725(8) 0.0158(5) Uani 1 1 d . . .
C11 C 0.0297(3) 0.19182(18) 0.13321(14) 0.0206(8) Uani 1 1 d . . .
H14 H -0.0165 0.2166 0.1524 0.031 Uiso 1 1 calc R . .
H15 H -0.0025 0.1678 0.0986 0.031 Uiso 1 1 calc R . .
H16 H 0.0744 0.2284 0.1234 0.031 Uiso 1 1 calc R . .
C12 C 0.1200(2) 0.16087(18) 0.22420(14) 0.0169(7) Uani 1 1 d . . .
C13 C 0.1263(3) 0.23405(18) 0.24113(15) 0.0193(7) Uani 1 1 d . . .
H17 H 0.1014 0.2721 0.2156 0.023 Uiso 1 1 calc R . .
C14 C 0.1692(3) 0.25134(18) 0.29576(14) 0.0197(7) Uani 1 1 d . . .
H18 H 0.1746 0.3015 0.3077 0.024 Uiso 1 1 calc R . .
C15 C 0.2041(3) 0.19594(18) 0.33261(14) 0.0186(7) Uani 1 1 d . . .
H19 H 0.2336 0.2086 0.3699 0.022 Uiso 1 1 calc R . .
C16 C 0.1973(2) 0.12115(17) 0.31675(13) 0.0147(7) Uani 1 1 d . . .
C17 C 0.1555(2) 0.10315(18) 0.26158(13) 0.0154(7) Uani 1 1 d . . .
C18 C 0.2355(2) 0.06443(17) 0.36187(13) 0.0154(7) Uani 1 1 d . . .
H20 H 0.2941 0.0861 0.3839 0.019 Uiso 1 1 calc R . .
C19 C 0.3477(2) -0.00100(18) 0.31272(14) 0.0194(7) Uani 1 1 d . . .
H21 H 0.3981 0.0240 0.3392 0.023 Uiso 1 1 calc R . .
H22 H 0.3334 0.0295 0.2780 0.023 Uiso 1 1 calc R . .
C20 C 0.3809(3) -0.07631(18) 0.29792(14) 0.0213(8) Uani 1 1 d . . .
H23 H 0.3984 -0.1054 0.3326 0.032 Uiso 1 1 calc R . .
H24 H 0.4355 -0.0709 0.2790 0.032 Uiso 1 1 calc R . .
H25 H 0.3304 -0.1015 0.2726 0.032 Uiso 1 1 calc R . .
C21 C 0.1689(3) 0.05349(18) 0.40306(14) 0.0162(7) Uani 1 1 d . . .
H26 H 0.186(3) 0.069(2) 0.4362(17) 0.035(12) Uiso 1 1 d . . .
O7 O 0.13832(18) 0.10674(13) 0.06774(10) 0.0229(6) Uani 1 1 d . . .
O8 O 0.17866(19) -0.00594(12) 0.05603(10) 0.0217(5) Uani 1 1 d . . .
N4 N 0.1756(2) 0.06144(16) 0.03896(12) 0.0204(6) Uani 1 1 d . . .
O9 O 0.20769(19) 0.07948(15) -0.00315(10) 0.0285(6) Uani 1 1 d . . .
O10 O 0.27484(18) 0.06555(14) 0.15871(10) 0.0250(6) Uani 1 1 d . . .
O11 O 0.26937(18) -0.05360(14) 0.16549(10) 0.0228(6) Uani 1 1 d . . .
N5 N 0.3187(2) 0.00446(18) 0.16405(12) 0.0253(7) Uani 1 1 d . . .
O12 O 0.4041(2) 0.00138(17) 0.16700(12) 0.0405(8) Uani 1 1 d . . .
O13 O 0.3895(3) 0.0226(2) 0.48904(18) 0.0675(11) Uani 1 1 d . . .
O14 O 0.3924(2) -0.0770(2) 0.44271(13) 0.0554(10) Uani 1 1 d . . .
N6 N 0.3985(3) -0.0444(2) 0.48607(17) 0.0415(9) Uani 1 1 d . . .
C22 C 0.4206(4) -0.0852(3) 0.54037(17) 0.0528(14) Uani 1 1 d . . .
H27 H 0.3705 -0.1209 0.5431 0.079 Uiso 1 1 calc R . .
H28 H 0.4256 -0.0502 0.5720 0.079 Uiso 1 1 calc R . .
H29 H 0.4802 -0.1115 0.5420 0.079 Uiso 1 1 calc R . .
O15 O 0.2988(3) 0.1842(2) 0.47715(13) 0.0558(10) Uani 1 1 d . . .
O16 O 0.4348(3) 0.20459(19) 0.52894(13) 0.0513(9) Uani 1 1 d . . .
N7 N 0.3538(3) 0.1791(2) 0.52142(14) 0.0379(9) Uani 1 1 d . . .
C23 C 0.3223(4) 0.1450(2) 0.57058(16) 0.0421(12) Uani 1 1 d . . .
H30 H 0.3768 0.1338 0.5996 0.063 Uiso 1 1 calc R . .
H31 H 0.2884 0.0991 0.5588 0.063 Uiso 1 1 calc R . .
H32 H 0.2805 0.1792 0.5861 0.063 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'
Tb Tb -0.1723 4.1537 '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 Tb O5 132.06(8) . 2 ?
O4 Tb O2 63.13(7) . . ?
O5 Tb O2 116.37(8) 2 . ?
O4 Tb O8 144.46(8) . . ?
O5 Tb O8 79.77(8) 2 . ?
O2 Tb O8 122.62(8) . . ?
O4 Tb O6 83.79(8) . 2 ?
O5 Tb O6 54.29(7) 2 2 ?
O2 Tb O6 73.89(8) . 2 ?
O8 Tb O6 131.62(7) . 2 ?
O4 Tb O3 64.69(7) . . ?
O5 Tb O3 82.00(8) 2 . ?
O2 Tb O3 121.67(8) . . ?
O8 Tb O3 114.75(7) . . ?
O6 Tb O3 76.44(8) 2 . ?
O4 Tb O11 81.56(8) . . ?
O5 Tb O11 146.04(8) 2 . ?
O2 Tb O11 70.40(8) . . ?
O8 Tb O11 70.15(8) . . ?
O6 Tb O11 144.26(8) 2 . ?
O3 Tb O11 124.56(8) . . ?
O4 Tb O1 126.94(7) . . ?
O5 Tb O1 74.38(8) 2 . ?
O2 Tb O1 63.81(7) . . ?
O8 Tb O1 70.08(8) . . ?
O6 Tb O1 82.48(8) 2 . ?
O3 Tb O1 154.74(8) . . ?
O11 Tb O1 80.69(8) . . ?
O4 Tb O10 74.71(8) . . ?
O5 Tb O10 132.31(8) 2 . ?
O2 Tb O10 111.05(8) . . ?
O8 Tb O10 70.84(8) . . ?
O6 Tb O10 151.52(8) 2 . ?
O3 Tb O10 77.57(8) . . ?
O11 Tb O10 50.79(8) . . ?
O1 Tb O10 125.43(8) . . ?
O4 Tb O7 120.64(8) . . ?
O5 Tb O7 67.62(8) 2 . ?
O2 Tb O7 171.42(8) . . ?
O8 Tb O7 49.45(8) . . ?
O6 Tb O7 113.53(7) 2 . ?
O3 Tb O7 65.63(8) . . ?
O11 Tb O7 101.97(8) . . ?
O1 Tb O7 111.84(7) . . ?
O10 Tb O7 64.72(7) . . ?
O4 Tb N3 106.90(8) . 2 ?
O5 Tb N3 27.15(8) 2 2 ?
O2 Tb N3 97.90(8) . 2 ?
O8 Tb N3 106.69(8) . 2 ?
O6 Tb N3 27.64(7) 2 2 ?
O3 Tb N3 74.08(8) . 2 ?
O11 Tb N3 161.09(8) . 2 ?
O1 Tb N3 80.77(8) . 2 ?
O10 Tb N3 147.15(8) . 2 ?
O7 Tb N3 88.39(8) . 2 ?
O4 Tb N5 78.36(8) . . ?
O5 Tb N5 144.85(8) 2 . ?
O2 Tb N5 91.62(8) . . ?
O8 Tb N5 66.80(8) . . ?
O6 Tb N5 160.82(7) 2 . ?
O3 Tb N5 101.81(9) . . ?
O11 Tb N5 25.41(8) . . ?
O1 Tb N5 102.65(9) . . ?
O10 Tb N5 25.46(8) . . ?
O7 Tb N5 82.04(8) . . ?
N3 Tb N5 170.43(8) 2 . ?
O4 Cu O2 78.61(9) . . ?
O4 Cu N1 171.84(10) . . ?
O2 Cu N1 93.23(10) . . ?
O4 Cu N2 87.81(10) . . ?
O2 Cu N2 148.68(11) . . ?
N1 Cu N2 99.42(11) . . ?
O4 Cu O6 86.78(9) . . ?
O2 Cu O6 119.71(9) . . ?
N1 Cu O6 97.29(10) . . ?
N2 Cu O6 87.09(10) . . ?
O4 Cu Tb 38.28(6) . . ?
O2 Cu Tb 40.86(6) . . ?
N1 Cu Tb 133.65(8) . . ?
N2 Cu Tb 117.91(8) . . ?
O6 Cu Tb 110.30(5) . . ?
C2 O1 C1 116.3(3) . . ?
C2 O1 Tb 119.45(18) . . ?
C1 O1 Tb 124.19(19) . . ?
C7 O2 Cu 126.9(2) . . ?
C7 O2 Tb 124.24(19) . . ?
Cu O2 Tb 106.84(9) . . ?
C8 N1 C9 117.2(3) . . ?
C8 N1 Cu 124.4(2) . . ?
C9 N1 Cu 118.4(2) . . ?
C3 C2 O1 124.6(3) . . ?
C3 C2 C7 121.4(3) . . ?
O1 C2 C7 114.0(3) . . ?
C2 C3 C4 119.8(3) . . ?
C5 C4 C3 120.2(3) . . ?
C4 C5 C6 120.2(3) . . ?
C7 C6 C5 120.0(3) . . ?
C7 C6 C8 123.3(3) . . ?
C5 C6 C8 116.7(3) . . ?
O2 C7 C6 124.0(3) . . ?
O2 C7 C2 117.8(3) . . ?
C6 C7 C2 118.2(3) . . ?
N1 C8 C6 127.6(3) . . ?
N1 C9 C10 119.8(3) . . ?
C12 O3 C11 116.2(2) . . ?
C12 O3 Tb 117.39(18) . . ?
C11 O3 Tb 126.13(18) . . ?
C17 O4 Cu 125.07(19) . . ?
C17 O4 Tb 124.29(19) . . ?
Cu O4 Tb 110.51(10) . . ?
C18 N2 C19 111.8(3) . . ?
C18 N2 Cu 112.8(2) . . ?
C19 N2 Cu 110.7(2) . . ?
C21 N3 O5 122.8(3) . . ?
C21 N3 O6 123.9(3) . . ?
O5 N3 O6 113.2(3) . . ?
C21 N3 Tb 165.6(2) . 2 ?
O5 N3 Tb 54.47(15) . 2 ?
O6 N3 Tb 60.22(15) . 2 ?
N3 O5 Tb 98.37(17) . 2 ?
N3 O6 Cu 118.94(19) . . ?
N3 O6 Tb 92.14(18) . 2 ?
Cu O6 Tb 145.22(9) . 2 ?
C13 C12 O3 124.7(3) . . ?
C13 C12 C17 121.5(3) . . ?
O3 C12 C17 113.8(3) . . ?
C12 C13 C14 119.3(3) . . ?
C15 C14 C13 120.0(3) . . ?
C14 C15 C16 121.8(3) . . ?
C17 C16 C15 118.7(3) . . ?
C17 C16 C18 124.2(3) . . ?
C15 C16 C18 117.1(3) . . ?
O4 C17 C16 124.9(3) . . ?
O4 C17 C12 116.4(3) . . ?
C16 C17 C12 118.7(3) . . ?
N2 C18 C21 110.9(3) . . ?
N2 C18 C16 114.8(3) . . ?
C21 C18 C16 111.0(3) . . ?
N2 C19 C20 110.4(3) . . ?
N3 C21 C18 123.2(3) . . ?
N4 O7 Tb 93.51(18) . . ?
N4 O8 Tb 100.71(19) . . ?
O9 N4 O7 122.6(3) . . ?
O9 N4 O8 121.2(3) . . ?
O7 N4 O8 116.2(3) . . ?
N5 O10 Tb 94.9(2) . . ?
N5 O11 Tb 97.38(19) . . ?
O12 N5 O10 121.8(3) . . ?
O12 N5 O11 121.7(3) . . ?
O10 N5 O11 116.6(3) . . ?
O12 N5 Tb 174.0(2) . . ?
O10 N5 Tb 59.65(18) . . ?
O11 N5 Tb 57.21(17) . . ?
O14 N6 O13 123.5(4) . . ?
O14 N6 C22 119.7(4) . . ?
O13 N6 C22 116.8(4) . . ?
O15 N7 O16 124.0(4) . . ?
O15 N7 C23 119.0(4) . . ?
O16 N7 C23 116.9(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
Tb O4 2.312(2) . ?
Tb O5 2.359(2) 2 ?
Tb O2 2.390(2) . ?
Tb O8 2.480(3) . ?
Tb O6 2.491(2) 2 ?
Tb O3 2.493(2) . ?
Tb O11 2.494(3) . ?
Tb O1 2.521(2) . ?
Tb O10 2.548(3) . ?
Tb O7 2.649(2) . ?
Tb N3 2.868(3) 2 ?
Tb N5 2.942(3) . ?
Cu O4 1.935(2) . ?
Cu O2 1.952(2) . ?
Cu N1 1.973(3) . ?
Cu N2 2.050(3) . ?
Cu O6 2.345(2) . ?
O1 C2 1.386(4) . ?
O1 C1 1.451(4) . ?
O2 C7 1.333(4) . ?
N1 C8 1.283(4) . ?
N1 C9 1.474(4) . ?
C2 C3 1.373(5) . ?
C2 C7 1.410(4) . ?
C3 C4 1.402(5) . ?
C4 C5 1.374(5) . ?
C5 C6 1.415(5) . ?
C6 C7 1.400(4) . ?
C6 C8 1.454(4) . ?
C9 C10 1.486(5) . ?
O3 C12 1.389(4) . ?
O3 C11 1.448(4) . ?
O4 C17 1.349(4) . ?
N2 C18 1.485(4) . ?
N2 C19 1.489(5) . ?
N3 C21 1.281(4) . ?
N3 O5 1.323(4) . ?
N3 O6 1.331(3) . ?
N3 Tb 2.868(3) 2 ?
O5 Tb 2.359(2) 2 ?
O6 Tb 2.491(2) 2 ?
C12 C13 1.382(5) . ?
C12 C17 1.414(4) . ?
C13 C14 1.386(5) . ?
C14 C15 1.373(5) . ?
C15 C16 1.403(4) . ?
C16 C17 1.395(4) . ?
C16 C18 1.524(4) . ?
C18 C21 1.503(5) . ?
C19 C20 1.506(5) . ?
O7 N4 1.250(4) . ?
O8 N4 1.283(4) . ?
N4 O9 1.223(4) . ?
O10 N5 1.269(4) . ?
O11 N5 1.273(4) . ?
N5 O12 1.227(4) . ?
O13 N6 1.223(5) . ?
O14 N6 1.184(5) . ?
N6 C22 1.481(5) . ?
O15 N7 1.217(4) . ?
O16 N7 1.243(5) . ?
N7 C23 1.468(5) . ?
