#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:55:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179906 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/02/7020266.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_7020266
loop_
_publ_author_name
'Chesman, Anthony S. R.'
'Turner, David R.'
'Berry, Kevin J.'
'Chilton, Nicholas F.'
'Moubaraki, Boujemaa'
'Murray, Keith S.'
'Deacon, Glen B.'
'Batten, Stuart R.'
_publ_section_title
;
 Ln(III)2Mn(III)2 heterobimetallic "butterfly" complexes
 displaying antiferromagnetic coupling (Ln = Eu, Gd, Tb, Er).
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11402
_journal_page_last               11412
_journal_paper_doi               10.1039/c2dt31144e
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety
'C24 H16 Gd2 Mn2 N24 O18, 3(H2 O), 8(C2 H3 N)'
_chemical_formula_sum            'C40 H46 Mn2 N32 O21 Tb2'
_chemical_formula_weight         1738.81
_chemical_name_common            '[Tb2Mn2(O)2(ccnm)6(dcnm)2(H2O)2].3H2O.8MeCN'
_chemical_name_systematic
;
[Bis(aqua)hexakis(carbamoylcyanonitrosomethanide)bis
(dicyanonitrosomethanide)bis(oxo)dimanganese(III)diterbium
(III)].trihydrate.octaacetonitrile
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.072(2)
_cell_angle_beta                 112.601(2)
_cell_angle_gamma                90.587(2)
_cell_formula_units_Z            1
_cell_length_a                   12.0839(5)
_cell_length_b                   13.5201(6)
_cell_length_c                   13.5658(6)
_cell_measurement_reflns_used    29515
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.22
_cell_volume                     2045.97(16)
_computing_cell_refinement       'Bruker SMART (Bruker)'
_computing_data_collection       'Bruker SMART (Bruker)'
_computing_data_reduction        'Bruker SAINT (Bruker)'
_computing_molecular_graphics    'X-Seed (Barbour, 1999)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(1)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker X8 Apex II CCD'
_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  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0314
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            29515
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    2.084
_exptl_absorpt_correction_T_max  0.6806
_exptl_absorpt_correction_T_min  0.4222
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             858
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.516
_refine_diff_density_min         -1.626
_refine_diff_density_rms         0.167
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         9360
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0411
_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)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1081
_refine_ls_wR_factor_ref         0.1158
_reflns_number_gt                8515
_reflns_number_total             9360
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31144e.txt
_cod_data_source_block           C:\TbMn\P-1.CIF
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2045.97(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7020266
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.023261(17) 0.143676(13) 0.310393(14) 0.01276(7) Uani 1 1 d . . .
Mn1 Mn 0.08454(5) -0.06389(4) 0.48934(5) 0.01148(12) Uani 1 1 d . . .
O1 O 0.0400(3) 0.0673(2) 0.4620(2) 0.0129(5) Uani 1 1 d . . .
O2 O -0.0301(3) -0.0241(2) 0.2399(2) 0.0162(6) Uani 1 1 d . . .
O3 O 0.2181(3) -0.0510(2) 0.4397(2) 0.0169(6) Uani 1 1 d . . .
O4 O 0.1542(3) 0.1523(2) 0.2169(3) 0.0210(6) Uani 1 1 d . . .
O5 O -0.2264(3) 0.0469(2) 0.3496(2) 0.0180(6) Uani 1 1 d . . .
O6 O -0.1211(3) 0.1549(2) 0.1305(2) 0.0170(6) Uani 1 1 d . . .
O7 O -0.1111(3) 0.2073(2) 0.4923(2) 0.0158(6) Uani 1 1 d . . .
O10 O 0.30944(15) 0.14907(6) 0.6377(3) 0.0313(8) Uani 1 1 d D . .
O8 O -0.0101(3) 0.3153(2) 0.2680(2) 0.0191(6) Uani 1 1 d . . .
O9 O 0.1896(2) 0.2278(2) 0.4395(3) 0.0234(7) Uani 1 1 d D . .
N1 N -0.0316(3) -0.0970(3) 0.3018(3) 0.0147(6) Uani 1 1 d . . .
N2 N -0.2084(6) -0.1784(4) 0.0477(4) 0.0485(14) Uani 1 1 d . . .
N3 N -0.1141(4) -0.3307(3) 0.3530(3) 0.0253(8) Uani 1 1 d . . .
N4 N 0.2015(3) 0.0197(3) 0.3692(3) 0.0150(7) Uani 1 1 d . . .
N5 N 0.4588(5) -0.0858(4) 0.3635(5) 0.0476(14) Uani 1 1 d . . .
N6 N 0.3130(4) 0.1072(3) 0.1797(3) 0.0260(9) Uani 1 1 d . . .
H6A H 0.2946 0.1490 0.1263 0.031 Uiso 1 1 calc R . .
H6B H 0.3765 0.0697 0.1956 0.031 Uiso 1 1 calc R . .
N7 N -0.1945(3) 0.0854(3) 0.2769(3) 0.0149(6) Uani 1 1 d . . .
N8 N -0.4813(4) 0.0079(5) 0.1302(4) 0.0433(13) Uani 1 1 d . . .
N9 N -0.2970(4) 0.1216(4) -0.0021(3) 0.0382(12) Uani 1 1 d . . .
H9A H -0.2713 0.1439 -0.0505 0.046 Uiso 1 1 calc R . .
H9B H -0.3707 0.0985 -0.0216 0.046 Uiso 1 1 calc R . .
N10 N -0.0754(3) 0.2444(3) 0.4193(3) 0.0154(7) Uani 1 1 d . . .
N11 N -0.1778(6) 0.4542(4) 0.5016(4) 0.0435(13) Uani 1 1 d . . .
N12 N -0.0631(4) 0.4697(3) 0.2930(3) 0.0282(9) Uani 1 1 d . . .
H12A H -0.0424 0.4936 0.2421 0.034 Uiso 1 1 calc R . .
H12B H -0.0921 0.5092 0.3286 0.034 Uiso 1 1 calc R . .
N14 N -0.0174(7) 0.5749(4) 0.1198(6) 0.0644(19) Uani 1 1 d . . .
N15 N 0.3475(3) 0.3569(14) 0.1554(11) 0.104(6) Uani 0.50 1 d PDU A 1
N16 N -0.1367(4) 0.1228(7) -0.1340(8) 0.041(2) Uiso 0.50 1 d PD B -1
N17 N -0.1846(10) 0.1684(9) -0.1643(8) 0.060(4) Uani 0.50 1 d PD C 2
N18 N -0.3234(3) 0.3278(18) -0.1642(12) 0.138(11) Uani 0.50 1 d PD D 1
C1 C -0.0946(4) -0.1752(3) 0.2523(3) 0.0175(8) Uani 1 1 d . . .
C2 C -0.1577(5) -0.1771(3) 0.1389(4) 0.0274(10) Uani 1 1 d . . .
C3 C -0.1031(4) -0.2595(3) 0.3116(3) 0.0185(8) Uani 1 1 d . . .
C4 C 0.2764(4) 0.0265(3) 0.3227(3) 0.0173(8) Uani 1 1 d . . .
C5 C 0.3775(4) -0.0369(4) 0.3467(4) 0.0281(10) Uani 1 1 d . . .
C6 C 0.2454(4) 0.1008(3) 0.2360(3) 0.0184(8) Uani 1 1 d . . .
C7 C -0.2713(4) 0.0831(3) 0.1779(3) 0.0189(8) Uani 1 1 d . . .
C8 C -0.3882(4) 0.0413(4) 0.1500(3) 0.0252(10) Uani 1 1 d . . .
C9 C -0.2256(4) 0.1230(3) 0.0991(3) 0.0181(8) Uani 1 1 d . . .
C10 C -0.0883(4) 0.3383(3) 0.4011(3) 0.0187(8) Uani 1 1 d . . .
C11 C -0.1386(5) 0.4018(3) 0.4573(4) 0.0259(10) Uani 1 1 d . . .
C12 C -0.0507(4) 0.3753(3) 0.3157(3) 0.0191(8) Uani 1 1 d . . .
C15 C -0.0118(8) 0.6186(5) 0.0530(6) 0.0535(18) Uani 1 1 d . . .
C16 C -0.0064(11) 0.6750(6) -0.0351(7) 0.079(3) Uani 1 1 d . . .
H16A H -0.0637 0.6474 -0.1023 0.118 Uiso 1 1 calc R . .
H16B H 0.0748 0.6721 -0.0347 0.118 Uiso 1 1 calc R . .
H16C H -0.0265 0.7440 -0.0281 0.118 Uiso 1 1 calc R . .
C13 C 0.4974(9) 0.2393(8) 0.4024(8) 0.075(2) Uani 1 1 d . . .
C17 C 0.3089(4) 0.3917(10) 0.2135(10) 0.069(4) Uani 0.50 1 d PDU A 1
C18 C 0.2559(16) 0.4361(12) 0.2902(14) 0.071(5) Uani 0.50 1 d PDU A 1
H18A H 0.1682 0.4337 0.2566 0.107 Uiso 0.50 1 calc PR A 1
H18B H 0.2831 0.5050 0.3064 0.107 Uiso 0.50 1 calc PR A 1
H18C H 0.2828 0.3979 0.3565 0.107 Uiso 0.50 1 calc PR A 1
C19 C -0.0706(5) 0.0688(6) -0.0741(7) 0.029(2) Uiso 0.50 1 d PD B -1
N13 N 0.4125(9) 0.2542(9) 0.4236(10) 0.115(4) Uani 1 1 d . . .
C14 C 0.5912(10) 0.2209(10) 0.3719(11) 0.109(4) Uani 1 1 d U . .
H14A H 0.5730 0.2583 0.3026 0.164 Uiso 1 1 d . . .
H14B H 0.6030 0.1553 0.3649 0.164 Uiso 1 1 d . . .
H14C H 0.6641 0.2556 0.4248 0.164 Uiso 1 1 d . . .
C20 C 0.0154(9) -0.0041(9) 0.0052(10) 0.0242(18) Uiso 0.50 1 d PD B -1
H20A H 0.0000 -0.0053 0.0710 0.036 Uiso 0.50 1 calc PR B -1
H20B H 0.0984 0.0172 0.0216 0.036 Uiso 0.50 1 calc PR B -1
H20C H 0.0025 -0.0704 -0.0267 0.036 Uiso 0.50 1 calc PR B -1
H10B H 0.3752 0.1477 0.6271 0.148 Uiso 1 1 d D . .
H10A H 0.2773 0.0909 0.6264 0.047 Uiso 1 1 d D . .
C21 C -0.1992(10) 0.2231(8) -0.2339(7) 0.045(3) Uani 0.50 1 d PD C 2
C22 C -0.220(3) 0.2942(13) -0.3277(14) 0.059(7) Uani 0.50 1 d PD C 2
H22A H -0.3054 0.3075 -0.3634 0.088 Uiso 0.50 1 calc PR C 2
H22B H -0.1903 0.2640 -0.3787 0.088 Uiso 0.50 1 calc PR C 2
H22C H -0.1760 0.3564 -0.3007 0.088 Uiso 0.50 1 calc PR C 2
C23 C -0.2870(4) 0.3129(11) -0.2304(12) 0.083(7) Uani 0.50 1 d PD D 1
C24 C -0.237(3) 0.294(2) -0.3173(17) 0.087(13) Uani 0.50 1 d PD D 1
H24A H -0.2536 0.3512 -0.3651 0.130 Uiso 0.50 1 calc PR D 1
H24B H -0.2749 0.2348 -0.3583 0.130 Uiso 0.50 1 calc PR D 1
H24C H -0.1500 0.2847 -0.2836 0.130 Uiso 0.50 1 calc PR D 1
H9OA H 0.2408(7) 0.250(5) 0.415(2) 0.05(2) Uiso 1 1 d D . .
H9OB H 0.2275(10) 0.201(5) 0.501(3) 0.06(2) Uiso 1 1 d D . .
O12 O 0.3957(12) 0.4032(14) 0.6650(19) 0.152(10) Uani 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'
Mn Mn 0.3368 0.7283 '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
O1 Tb1 O9 77.77(11) . .
O1 Tb1 O4 131.64(10) . .
O9 Tb1 O4 79.95(11) . .
O1 Tb1 O8 128.15(10) . .
O9 Tb1 O8 74.81(11) . .
O4 Tb1 O8 85.15(11) . .
O1 Tb1 O6 137.74(10) . .
O9 Tb1 O6 142.64(11) . .
O4 Tb1 O6 80.06(11) . .
O8 Tb1 O6 72.32(10) . .
O1 Tb1 O2 81.26(10) . .
O9 Tb1 O2 138.07(10) . .
O4 Tb1 O2 87.74(11) . .
O8 Tb1 O2 144.17(10) . .
O6 Tb1 O2 71.87(10) . .
O1 Tb1 N7 75.75(10) . .
O9 Tb1 N7 140.98(11) . .
O4 Tb1 N7 138.87(11) . .
O8 Tb1 N7 100.15(11) . .
O6 Tb1 N7 63.43(10) . .
O2 Tb1 N7 64.20(10) . .
O1 Tb1 N10 67.95(10) . .
O9 Tb1 N10 77.15(11) . .
O4 Tb1 N10 145.01(11) . .
O8 Tb1 N10 63.54(10) . .
O6 Tb1 N10 103.04(10) . .
O2 Tb1 N10 126.70(10) . .
N7 Tb1 N10 66.58(11) . .
O1 Tb1 N4 69.28(10) . .
O9 Tb1 N4 73.46(10) . .
O4 Tb1 N4 63.40(11) . .
O8 Tb1 N4 138.39(11) . .
O6 Tb1 N4 123.27(10) . .
O2 Tb1 N4 65.23(10) . .
N7 Tb1 N4 121.45(11) . .
N10 Tb1 N4 132.00(10) . .
O1 Tb1 Mn1 25.96(7) . 2_556
O9 Tb1 Mn1 91.82(8) . 2_556
O4 Tb1 Mn1 157.36(8) . 2_556
O8 Tb1 Mn1 113.19(7) . 2_556
O6 Tb1 Mn1 117.17(7) . 2_556
O2 Tb1 Mn1 84.44(7) . 2_556
N7 Tb1 Mn1 53.87(8) . 2_556
N10 Tb1 Mn1 49.70(7) . 2_556
N4 Tb1 Mn1 94.09(8) . 2_556
O1 Tb1 Mn1 25.57(7) . .
O9 Tb1 Mn1 88.46(8) . .
O4 Tb1 Mn1 112.68(8) . .
O8 Tb1 Mn1 153.31(7) . .
O6 Tb1 Mn1 128.46(7) . .
O2 Tb1 Mn1 59.71(7) . .
N7 Tb1 Mn1 79.73(8) . .
N10 Tb1 Mn1 92.85(7) . .
N4 Tb1 Mn1 49.84(8) . .
Mn1 Tb1 Mn1 45.534(17) 2_556 .
O1 Mn1 O1 82.82(13) . 2_556
O1 Mn1 O7 172.95(13) . 2_556
O1 Mn1 O7 93.05(12) 2_556 2_556
O1 Mn1 O3 93.83(12) . .
O1 Mn1 O3 176.29(13) 2_556 .
O7 Mn1 O3 90.44(12) 2_556 .
O1 Mn1 O5 99.33(12) . 2_556
O1 Mn1 O5 94.39(12) 2_556 2_556
O7 Mn1 O5 86.65(12) 2_556 2_556
O3 Mn1 O5 84.54(12) . 2_556
O1 Mn1 N1 87.34(12) . .
O1 Mn1 N1 98.54(12) 2_556 .
O7 Mn1 N1 87.63(12) 2_556 .
O3 Mn1 N1 82.86(12) . .
O5 Mn1 N1 166.11(12) 2_556 .
O1 Mn1 Mn1 41.50(9) . 2_556
O1 Mn1 Mn1 41.32(9) 2_556 2_556
O7 Mn1 Mn1 134.11(9) 2_556 2_556
O3 Mn1 Mn1 135.31(9) . 2_556
O5 Mn1 Mn1 99.15(9) 2_556 2_556
N1 Mn1 Mn1 93.92(9) . 2_556
O1 Mn1 Tb1 105.94(9) . 2_556
O1 Mn1 Tb1 31.83(9) 2_556 2_556
O7 Mn1 Tb1 72.54(8) 2_556 2_556
O3 Mn1 Tb1 149.32(9) . 2_556
O5 Mn1 Tb1 69.50(8) 2_556 2_556
N1 Mn1 Tb1 120.55(8) . 2_556
Mn1 Mn1 Tb1 67.38(2) 2_556 2_556
O1 Mn1 Tb1 31.45(8) . .
O1 Mn1 Tb1 105.50(9) 2_556 .
O7 Mn1 Tb1 146.88(9) 2_556 .
O3 Mn1 Tb1 72.03(9) . .
O5 Mn1 Tb1 118.19(8) 2_556 .
N1 Mn1 Tb1 62.98(8) . .
Mn1 Mn1 Tb1 67.09(2) 2_556 .
Tb1 Mn1 Tb1 134.466(17) 2_556 .
Mn1 O1 Mn1 97.18(13) . 2_556
Mn1 O1 Tb1 122.98(13) . .
Mn1 O1 Tb1 122.21(14) 2_556 .
N1 O2 Tb1 121.0(2) . .
N4 O3 Mn1 112.9(2) . .
C6 O4 Tb1 125.4(3) . .
N7 O5 Mn1 111.7(2) . 2_556
C9 O6 Tb1 124.9(3) . .
N10 O7 Mn1 112.5(2) . 2_556
C12 O8 Tb1 124.9(3) . .
O2 N1 C1 115.0(3) . .
O2 N1 Mn1 113.4(2) . .
C1 N1 Mn1 131.6(3) . .
C4 N4 O3 117.6(4) . .
C4 N4 Tb1 117.3(3) . .
O3 N4 Tb1 125.0(2) . .
O5 N7 C7 118.2(4) . .
O5 N7 Tb1 124.1(2) . .
C7 N7 Tb1 117.1(3) . .
C10 N10 O7 117.6(4) . .
C10 N10 Tb1 117.1(3) . .
O7 N10 Tb1 125.2(2) . .
N1 C1 C3 120.2(4) . .
N1 C1 C2 121.4(4) . .
C3 C1 C2 118.3(4) . .
N2 C2 C1 179.8(7) . .
N3 C3 C1 175.4(5) . .
N4 C4 C5 123.1(4) . .
N4 C4 C6 114.9(4) . .
C5 C4 C6 121.8(4) . .
N5 C5 C4 177.8(5) . .
O4 C6 N6 122.7(4) . .
O4 C6 C4 118.9(4) . .
N6 C6 C4 118.4(4) . .
N7 C7 C8 121.3(4) . .
N7 C7 C9 114.9(4) . .
C8 C7 C9 123.7(4) . .
N8 C8 C7 178.3(5) . .
O6 C9 N9 122.4(4) . .
O6 C9 C7 119.1(4) . .
N9 C9 C7 118.4(4) . .
N10 C10 C11 122.4(4) . .
N10 C10 C12 115.4(4) . .
C11 C10 C12 122.2(4) . .
N11 C11 C10 178.6(6) . .
O8 C12 N12 123.1(4) . .
O8 C12 C10 118.9(4) . .
N12 C12 C10 118.0(4) . .
N14 C15 C16 179.1(11) . .
N13 C13 C14 176.7(12) . .
N15 C17 C18 178.8(7) . .
N16 C19 C20 179.0(6) . .
N17 C21 C22 179.1(9) . .
N18 C23 C24 179.0(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1 2.242(3) .
Tb1 O9 2.376(3) .
Tb1 O4 2.380(3) .
Tb1 O8 2.392(3) .
Tb1 O6 2.399(3) .
Tb1 O2 2.443(3) .
Tb1 N7 2.605(3) .
Tb1 N10 2.615(4) .
Tb1 N4 2.615(4) .
Tb1 Mn1 3.5972(6) 2_556
Tb1 Mn1 3.6048(6) .
Mn1 O1 1.855(3) .
Mn1 O1 1.861(3) 2_556
Mn1 O7 1.969(3) 2_556
Mn1 O3 1.980(3) .
Mn1 O5 2.209(3) 2_556
Mn1 N1 2.425(4) .
Mn1 Mn1 2.7871(11) 2_556
Mn1 Tb1 3.5972(6) 2_556
O1 Mn1 1.861(3) 2_556
O2 N1 1.299(4) .
O3 N4 1.314(4) .
O4 C6 1.250(5) .
O5 N7 1.297(4) .
O5 Mn1 2.209(3) 2_556
O6 C9 1.239(5) .
O7 N10 1.321(4) .
O7 Mn1 1.969(3) 2_556
O8 C12 1.253(5) .
N1 C1 1.318(5) .
N2 C2 1.150(7) .
N3 C3 1.147(6) .
N4 C4 1.290(5) .
N5 C5 1.138(7) .
N6 C6 1.316(6) .
N7 C7 1.307(5) .
N8 C8 1.140(7) .
N9 C9 1.311(6) .
N10 C10 1.294(6) .
N11 C11 1.146(7) .
N12 C12 1.309(6) .
N14 C15 1.105(8) .
N15 C17 1.16005(11) .
N16 C19 1.16003(10) .
N17 C21 1.16003(11) .
N18 C23 1.16003(12) .
C1 C3 1.422(6) .
C1 C2 1.431(6) .
C4 C5 1.431(6) .
C4 C6 1.485(6) .
C7 C8 1.424(6) .
C7 C9 1.480(6) .
C10 C11 1.432(6) .
C10 C12 1.482(6) .
C15 C16 1.441(9) .
C13 N13 1.185(13) .
C13 C14 1.373(15) .
C17 C18 1.54005(11) .
C19 C20 1.54003(11) .
C21 C22 1.54003(11) .
C23 C24 1.54003(12) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N6 H6A N2 0.88 2.22 3.013(6) 149.6 2
N12 H12A N14 0.88 2.11 2.974(7) 168.0 .
N12 H12B N3 0.88 2.22 2.956(6) 140.6 1_565
N9 H9A N17 0.88 2.20 3.061(10) 167.2 .
N9 H9B N8 0.88 2.31 3.096(7) 148.0 2_455
O9 H9OB O10 0.86 1.880(6) 2.739(5) 177(8) .
O9 H9OA N13 0.86 2.032(14) 2.804(9) 148.8(19) .
O10 H10A O5 0.86 2.02 2.852(3) 161.9 2_556
O10 H10B N5 0.86 2.14 2.943(5) 155.1 2_656
