#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/94/1519401.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_1519401
loop_
_publ_author_name
'Chow, Chun Y.'
'Bolvin, Hélène'
'Campbell, Victoria E.'
'Guillot, Régis'
'Kampf, Jeff W.'
'Wernsdorfer, Wolfgang'
'Gendron, Frédéric'
'Autschbach, Jochen'
'Pecoraro, Vincent L.'
'Mallah, Talal'
_publ_section_title
;
 Assessing the exchange coupling in binuclear lanthanide(iii) complexes
 and the slow relaxation of the magnetization in the antiferromagnetically
 coupled Dy2derivative
;
_journal_issue                   7
_journal_name_full               'Chem. Sci.'
_journal_page_first              4148
_journal_paper_doi               10.1039/C5SC01029B
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety
'C77 H64 Ga4 N12 O26 Tb2, 3(C5 H5 N), 2(C H4 O), 3(O H2) '
_chemical_formula_sum            'C94 H93 Ga4 N15 O31 Tb2'
_chemical_formula_weight         2525.55
_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
_audit_update_record
;
2014-08-22 deposited with the CCDC.
2015-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.3020(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.1697(6)
_cell_length_b                   22.1217(6)
_cell_length_c                   17.9895(5)
_cell_measurement_reflns_used    9854
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      30.62
_cell_measurement_theta_min      2.49
_cell_volume                     9884.8(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_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      100(1)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0644
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            152738
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.67
_diffrn_reflns_theta_min         1.59
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.462
_exptl_absorpt_correction_T_max  0.9298
_exptl_absorpt_correction_T_min  0.5670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5056
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.467
_refine_diff_density_min         -0.899
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     750
_refine_ls_number_reflns         15061
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.309
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0327P)²+49.1919P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0980
_reflns_number_gt                11375
_reflns_number_total             15061
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5sc01029b2.cif
_cod_data_source_block           2-Ga4Tb2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 1519400--1519404.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1519401
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
Tb1 Tb 0.185580(7) 0.278761(8) 1.032159(11) 0.02029(5) Uani 1 1 d . . .
Ga1 Ga 0.052516(17) 0.288121(19) 1.06658(2) 0.02133(9) Uani 1 1 d . E .
Ga2 Ga 0.131645(17) 0.122418(19) 0.96275(2) 0.02198(9) Uani 1 1 d . . .
O1 O 0.20672(11) 0.37760(13) 1.05507(17) 0.0268(6) Uani 1 1 d . E .
O2 O 0.22628(11) 0.19866(12) 0.98103(16) 0.0242(6) Uani 1 1 d . . .
O3 O 0.13580(12) 0.04534(13) 0.92080(18) 0.0295(6) Uani 1 1 d . . .
O4 O 0.05375(11) 0.11982(13) 0.95987(16) 0.0256(6) Uani 1 1 d . E .
O5 O 0.12253(10) 0.20094(12) 1.00853(16) 0.0212(5) Uani 1 1 d . E .
O6 O -0.01979(11) 0.28131(13) 1.02046(18) 0.0287(6) Uani 1 1 d . . .
O7 O 0.12901(11) 0.28584(12) 1.12831(15) 0.0225(5) Uani 1 1 d . E .
O8 O 0.03724(11) 0.25760(13) 1.16255(16) 0.0261(6) Uani 1 1 d . . .
O9 O 0.23035(11) 0.23704(13) 1.14198(16) 0.0249(6) Uani 1 1 d . E .
O10 O 0.04394(12) 0.37309(13) 1.09385(18) 0.0285(6) Uani 1 1 d . . .
O11 O 0.09344(11) 0.32628(12) 0.99247(16) 0.0242(6) Uani 1 1 d . E .
O12 O 0.0924(3) 0.49972(19) 0.9529(3) 0.0816(17) Uani 1 1 d . . .
H12A H 0.0979 0.5291 0.9274 0.122 Uiso 1 1 calc R . .
O800 O 0.05100(14) 0.81724(17) 0.8240(2) 0.0422(8) Uani 1 1 d . . .
N1 N 0.20868(13) 0.13939(14) 0.96775(19) 0.0224(6) Uani 1 1 d . . .
N2 N 0.06924(13) 0.21044(15) 1.01858(19) 0.0221(6) Uani 1 1 d . . .
N3 N 0.08377(14) 0.24230(16) 1.20971(19) 0.0253(7) Uani 1 1 d . E .
H3A H 0.0825 0.2223 1.2504 0.030 Uiso 1 1 calc R . .
N4 N 0.09066(14) 0.38785(15) 1.0007(2) 0.0269(7) Uani 1 1 d . . .
H4A H 0.1054 0.4116 0.9721 0.032 Uiso 1 1 calc R E .
N100 N 0.11565(14) 0.16238(17) 0.8515(2) 0.0279(7) Uani 1 1 d . E .
N110 N 0.14137(15) 0.08248(15) 1.0721(2) 0.0274(7) Uani 1 1 d . E .
C1 C 0.25414(16) 0.39675(18) 1.0507(2) 0.0239(8) Uani 1 1 d . . .
C2 C 0.26684(17) 0.46115(18) 1.0667(2) 0.0264(8) Uani 1 1 d . E .
C3 C 0.2229(2) 0.4992(2) 1.0707(3) 0.0353(10) Uani 1 1 d . . .
H3 H 0.1884 0.4830 1.0629 0.042 Uiso 1 1 calc R E .
C4 C 0.2294(2) 0.5601(2) 1.0859(3) 0.0443(12) Uani 1 1 d . E .
H4 H 0.1997 0.5845 1.0885 0.053 Uiso 1 1 calc R . .
C5 C 0.2804(2) 0.5842(2) 1.0971(3) 0.0410(12) Uani 1 1 d . . .
H5 H 0.2853 0.6252 1.1072 0.049 Uiso 1 1 calc R E .
C6 C 0.3241(2) 0.5481(2) 1.0934(3) 0.0339(10) Uani 1 1 d . E .
H6 H 0.3583 0.5653 1.1013 0.041 Uiso 1 1 calc R . .
C7 C 0.31893(18) 0.48615(18) 1.0782(2) 0.0268(8) Uani 1 1 d . . .
C8 C 0.03654(16) 0.16712(18) 0.9904(2) 0.0231(7) Uani 1 1 d . E .
C9 C -0.02149(16) 0.17396(19) 0.9925(2) 0.0242(8) Uani 1 1 d . . .
C10 C -0.05338(17) 0.1223(2) 0.9772(2) 0.0270(8) Uani 1 1 d . E .
H10 H -0.0372 0.0858 0.9682 0.032 Uiso 1 1 calc R . .
C11 C -0.10831(18) 0.1242(2) 0.9752(2) 0.0317(9) Uani 1 1 d . . .
H11 H -0.1289 0.0892 0.9661 0.038 Uiso 1 1 calc R E .
C12 C -0.13255(17) 0.1789(2) 0.9869(3) 0.0325(9) Uani 1 1 d . E .
H12 H -0.1696 0.1807 0.9854 0.039 Uiso 1 1 calc R . .
C13 C -0.10210(17) 0.2305(2) 1.0008(2) 0.0299(9) Uani 1 1 d . . .
H13 H -0.1192 0.2670 1.0074 0.036 Uiso 1 1 calc R E .
C14 C -0.04595(16) 0.22969(19) 1.0054(2) 0.0255(8) Uani 1 1 d . E .
C15 C 0.13003(16) 0.25861(18) 1.1917(2) 0.0237(8) Uani 1 1 d . . .
C16 C 0.18028(16) 0.24814(17) 1.2434(2) 0.0233(7) Uani 1 1 d . E .
C17 C 0.18072(19) 0.2504(2) 1.3212(2) 0.0322(9) Uani 1 1 d . . .
H17 H 0.1487 0.2567 1.3395 0.039 Uiso 1 1 calc R E .
C18 C 0.2280(2) 0.2433(2) 1.3710(3) 0.0353(10) Uani 1 1 d . E .
H18 H 0.2280 0.2453 1.4227 0.042 Uiso 1 1 calc R . .
C19 C 0.27534(19) 0.2332(2) 1.3432(3) 0.0347(10) Uani 1 1 d . . .
H19 H 0.3073 0.2280 1.3765 0.042 Uiso 1 1 calc R E .
C20 C 0.27560(18) 0.23090(19) 1.2670(2) 0.0291(9) Uani 1 1 d . E .
H20 H 0.3080 0.2238 1.2498 0.035 Uiso 1 1 calc R . .
C21 C 0.22868(16) 0.23888(17) 1.2144(2) 0.0228(7) Uani 1 1 d . . .
C22 C 0.06547(17) 0.40964(19) 1.0523(3) 0.0279(8) Uani 1 1 d . E .
C23 C 0.0618(2) 0.4753(2) 1.0644(3) 0.0389(11) Uani 1 1 d . . .
C24 C 0.0424(3) 0.4944(3) 1.1272(4) 0.0675(19) Uani 1 1 d . E .
H24 H 0.0334 0.4662 1.1614 0.081 Uiso 1 1 calc R . .
C25 C 0.0360(4) 0.5553(3) 1.1401(6) 0.095(3) Uani 1 1 d . . .
H25 H 0.0231 0.5680 1.1832 0.115 Uiso 1 1 calc R E .
C26 C 0.0485(4) 0.5971(3) 1.0896(5) 0.085(3) Uani 1 1 d . E .
H26 H 0.0444 0.6381 1.0986 0.102 Uiso 1 1 calc R . .
C27 C 0.0662(3) 0.5795(3) 1.0284(4) 0.067(2) Uani 1 1 d . . .
H27 H 0.0737 0.6084 0.9938 0.080 Uiso 1 1 calc R E .
C28 C 0.0743(3) 0.5181(2) 1.0140(3) 0.0517(15) Uani 1 1 d . E .
C100 C 0.08685(19) 0.2121(2) 0.8365(3) 0.0349(10) Uani 1 1 d . . .
H100 H 0.0754 0.2328 0.8760 0.042 Uiso 1 1 calc R E .
C101 C 0.0730(2) 0.2347(3) 0.7643(3) 0.0445(12) Uani 1 1 d . E .
H101 H 0.0526 0.2697 0.7554 0.053 Uiso 1 1 calc R . .
C102 C 0.0902(2) 0.2043(3) 0.7059(3) 0.0478(14) Uani 1 1 d . . .
H102 H 0.0807 0.2178 0.6566 0.057 Uiso 1 1 calc R E .
C103 C 0.1214(2) 0.1538(3) 0.7215(3) 0.0471(13) Uani 1 1 d . E .
H103 H 0.1344 0.1332 0.6830 0.056 Uiso 1 1 calc R . .
C104 C 0.1333(2) 0.1343(2) 0.7942(3) 0.0376(11) Uani 1 1 d . . .
H104 H 0.1546 0.0999 0.8044 0.045 Uiso 1 1 calc R E .
C110 C 0.1092(2) 0.0372(2) 1.0858(3) 0.0344(10) Uani 1 1 d . . .
H110 H 0.0834 0.0231 1.0467 0.041 Uiso 1 1 calc R E .
C111 C 0.1127(2) 0.0108(2) 1.1556(3) 0.0456(13) Uani 1 1 d . E .
H111 H 0.0893 -0.0201 1.1638 0.055 Uiso 1 1 calc R . .
C112 C 0.1513(3) 0.0309(2) 1.2128(3) 0.0582(17) Uani 1 1 d . . .
H112 H 0.1547 0.0132 1.2603 0.070 Uiso 1 1 calc R E .
C113 C 0.1849(3) 0.0773(3) 1.1995(3) 0.0561(16) Uani 1 1 d . E .
H113 H 0.2112 0.0917 1.2377 0.067 Uiso 1 1 calc R . .
C114 C 0.1785(2) 0.1018(2) 1.1283(3) 0.0399(11) Uani 1 1 d . . .
H114 H 0.2012 0.1332 1.1190 0.048 Uiso 1 1 calc R E .
N600 N 0.0135(2) -0.0553(3) 0.7839(4) 0.0669(18) Uani 0.50 1 d P . 1
C600 C 0.0135(2) -0.0553(3) 0.7839(4) 0.0669(18) Uani 0.50 1 d P . 2
H600 H 0.0241 -0.0916 0.8079 0.080 Uiso 0.50 1 calc PR . 2
C601 C 0.0265(3) -0.0015(4) 0.8201(4) 0.071(2) Uani 1 1 d . . .
H601 H 0.0448 -0.0018 0.8693 0.085 Uiso 1 1 calc R . 1
C602 C 0.0133(3) 0.0523(3) 0.7857(5) 0.075(2) Uani 1 1 d . . .
H602 H 0.0224 0.0885 0.8109 0.089 Uiso 1 1 calc R . .
N200 N 0.1949(3) 0.5026(3) 0.8256(4) 0.0316(16) Uani 0.50 1 d PD A 1
C200 C 0.1823(3) 0.5232(3) 0.7554(4) 0.0247(16) Uani 0.50 1 d PD A 1
H200 H 0.1578 0.5015 0.7214 0.030 Uiso 0.50 1 calc PR A 1
C201 C 0.2044(4) 0.5757(5) 0.7306(6) 0.030(2) Uani 0.50 1 d PD A 1
H201 H 0.1964 0.5880 0.6806 0.036 Uiso 0.50 1 calc PR A 1
C202 C 0.2376(5) 0.6081(6) 0.7818(10) 0.043(5) Uani 0.50 1 d PD A 1
H202 H 0.2513 0.6447 0.7679 0.052 Uiso 0.50 1 calc PR A 1
C203 C 0.2514(6) 0.5878(7) 0.8536(10) 0.051(5) Uani 0.50 1 d PD A 1
H203 H 0.2739 0.6102 0.8893 0.061 Uiso 0.50 1 calc PR A 1
C204 C 0.2316(6) 0.5345(6) 0.8715(8) 0.053(4) Uani 0.50 1 d PD A 1
H204 H 0.2443 0.5187 0.9190 0.064 Uiso 0.50 1 calc PR A 1
C830 C 0.1006(8) 0.6303(5) 0.8457(10) 0.106(8) Uani 0.50 1 d PD B 1
H83A H 0.0802 0.6620 0.8643 0.160 Uiso 0.50 1 calc PR B 1
H83B H 0.1084 0.6412 0.7970 0.160 Uiso 0.50 1 calc PR B 1
H83C H 0.1337 0.6243 0.8798 0.160 Uiso 0.50 1 calc PR B 1
O830 O 0.0722(4) 0.5795(3) 0.8402(5) 0.053(2) Uani 0.50 1 d PD B 1
H830 H 0.0417 0.5867 0.8482 0.079 Uiso 0.50 1 calc PR B 1
N210 N 0.1664(8) 0.5583(11) 0.8682(10) 0.157(8) Uani 0.50 1 d PDU C 2
C210 C 0.1421(9) 0.5725(15) 0.7977(12) 0.197(11) Uani 0.50 1 d PDU C 2
H210 H 0.1048 0.5732 0.7862 0.236 Uiso 0.50 1 calc PR C 2
C211 C 0.1742(12) 0.5865(13) 0.7405(11) 0.155(10) Uani 0.50 1 d PDU C 2
H211 H 0.1585 0.5889 0.6901 0.185 Uiso 0.50 1 calc PR C 2
C212 C 0.2268(11) 0.5961(13) 0.7608(14) 0.100(8) Uani 0.50 1 d PDU C 2
H212 H 0.2476 0.6099 0.7260 0.120 Uiso 0.50 1 calc PR C 2
C213 C 0.2493(11) 0.5854(15) 0.8329(14) 0.097(8) Uani 0.50 1 d PDU C 2
H213 H 0.2852 0.5957 0.8493 0.117 Uiso 0.50 1 calc PR C 2
C214 C 0.2204(8) 0.5600(13) 0.8811(10) 0.099(7) Uani 0.50 1 d PDU C 2
H214 H 0.2385 0.5430 0.9252 0.119 Uiso 0.50 1 calc PR C 2
O820 O 0.0000 0.3584(3) 0.2500 0.087(2) Uani 1 2 d S D 2
O510 O 0.1748(6) 0.2969(6) 0.9014(10) 0.0143(19) Uani 0.50 1 d P E 1
C810 C 0.0953(5) 0.4055(4) 0.8142(6) 0.042(2) Uani 0.50 1 d PD F 1
H81A H 0.0694 0.3782 0.8294 0.063 Uiso 0.50 1 calc PR F 1
H81B H 0.1059 0.3912 0.7684 0.063 Uiso 0.50 1 calc PR F 1
H81C H 0.0797 0.4450 0.8062 0.063 Uiso 0.50 1 calc PR F 1
O810 O 0.1387(3) 0.4083(3) 0.8684(4) 0.0309(14) Uani 0.50 1 d P F 1
H810 H 0.1555 0.4394 0.8635 0.046 Uiso 0.50 1 calc PR F 1
C500 C 0.1671(8) 0.3674(8) 0.8647(10) 0.092(5) Uani 0.50 1 d PDU E 2
H50A H 0.1795 0.3988 0.9002 0.138 Uiso 0.50 1 calc PR E 2
H50B H 0.1287 0.3700 0.8510 0.138 Uiso 0.50 1 calc PR E 2
H50C H 0.1836 0.3722 0.8206 0.138 Uiso 0.50 1 calc PR E 2
O500 O 0.1818(8) 0.3079(8) 0.8992(14) 0.037(4) Uani 0.50 1 d PDU E 2
H500 H 0.1906 0.2779 0.8670 0.044 Uiso 0.50 1 calc PR E 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0031 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 0.0109 0.0061 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2310 1.6140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1720 4.1540 '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 99.33(11) . .
O1 Tb1 O2 134.77(10) . .
O9 Tb1 O2 81.21(10) . .
O1 Tb1 O2 67.18(10) . 7_557
O9 Tb1 O2 80.26(10) . 7_557
O2 Tb1 O2 68.41(11) . 7_557
O1 Tb1 O5 151.10(10) . .
O9 Tb1 O5 94.86(10) . .
O2 Tb1 O5 72.18(9) . .
O2 Tb1 O5 140.58(9) 7_557 .
O1 Tb1 O510 90.2(4) . .
O9 Tb1 O510 152.3(3) . .
O2 Tb1 O510 73.7(3) . .
O2 Tb1 O510 79.6(4) 7_557 .
O5 Tb1 O510 88.8(4) . .
O1 Tb1 O7 87.45(10) . .
O9 Tb1 O7 71.05(9) . .
O2 Tb1 O7 133.23(9) . .
O2 Tb1 O7 137.90(10) 7_557 .
O5 Tb1 O7 73.51(9) . .
O510 Tb1 O7 135.8(3) . .
O1 Tb1 O500 84.0(5) . .
O9 Tb1 O500 151.0(5) . .
O2 Tb1 O500 76.4(5) . .
O2 Tb1 O500 74.5(5) 7_557 .
O5 Tb1 O500 95.6(5) . .
O510 Tb1 O500 6.8(8) . .
O7 Tb1 O500 138.0(5) . .
O1 Tb1 O11 80.17(10) . .
O9 Tb1 O11 134.79(9) . .
O2 Tb1 O11 130.43(10) . .
O2 Tb1 O11 136.51(9) 7_557 .
O5 Tb1 O11 72.01(9) . .
O510 Tb1 O11 72.4(3) . .
O7 Tb1 O11 63.75(9) . .
O500 Tb1 O11 74.3(5) . .
O1 Tb1 Ga1 96.51(7) . .
O9 Tb1 Ga1 102.76(7) . .
O2 Tb1 Ga1 127.78(7) . .
O2 Tb1 Ga1 163.68(7) 7_557 .
O5 Tb1 Ga1 55.62(6) . .
O510 Tb1 Ga1 102.0(4) . .
O7 Tb1 Ga1 34.94(7) . .
O500 Tb1 Ga1 105.5(5) . .
O11 Tb1 Ga1 34.05(6) . .
O1 Tb1 Tb1 100.93(7) . 7_557
O9 Tb1 Tb1 78.78(7) . 7_557
O2 Tb1 Tb1 34.31(7) . 7_557
O2 Tb1 Tb1 34.10(6) 7_557 7_557
O5 Tb1 Tb1 106.48(6) . 7_557
O510 Tb1 Tb1 73.8(3) . 7_557
O7 Tb1 Tb1 149.64(7) . 7_557
O500 Tb1 Tb1 72.3(5) . 7_557
O11 Tb1 Tb1 146.19(6) . 7_557
Ga1 Tb1 Tb1 162.025(11) . 7_557
O6 Ga1 O8 92.73(13) . .
O6 Ga1 O10 92.83(13) . .
O8 Ga1 O10 93.73(13) . .
O6 Ga1 N2 89.82(13) . .
O8 Ga1 N2 99.80(13) . .
O10 Ga1 N2 166.07(13) . .
O6 Ga1 O11 107.82(13) . .
O8 Ga1 O11 159.05(12) . .
O10 Ga1 O11 81.46(12) . .
N2 Ga1 O11 84.71(12) . .
O6 Ga1 O7 171.36(12) . .
O8 Ga1 O7 79.35(11) . .
O10 Ga1 O7 91.13(12) . .
N2 Ga1 O7 88.17(12) . .
O11 Ga1 O7 80.36(11) . .
O6 Ga1 Tb1 143.20(10) . .
O8 Ga1 Tb1 117.80(8) . .
O10 Ga1 Tb1 104.31(9) . .
N2 Ga1 Tb1 66.38(9) . .
O11 Ga1 Tb1 45.39(8) . .
O7 Ga1 Tb1 42.17(7) . .
O3 Ga2 O5 175.97(12) . .
O3 Ga2 O4 94.80(12) . .
O5 Ga2 O4 81.46(11) . .
O3 Ga2 N1 94.21(13) . .
O5 Ga2 N1 89.60(12) . .
O4 Ga2 N1 170.59(12) . .
O3 Ga2 N110 89.36(13) . .
O5 Ga2 N110 89.05(12) . .
O4 Ga2 N110 88.71(13) . .
N1 Ga2 N110 94.11(14) . .
O3 Ga2 N100 90.78(14) . .
O5 Ga2 N100 90.54(13) . .
O4 Ga2 N100 87.22(13) . .
N1 Ga2 N100 89.94(14) . .
N110 Ga2 N100 175.93(14) . .
C1 O1 Tb1 120.0(2) . .
N1 O2 Tb1 129.9(2) . .
N1 O2 Tb1 117.9(2) . 7_557
Tb1 O2 Tb1 111.59(11) . 7_557
C7 O3 Ga2 125.0(3) 7_557 .
C8 O4 Ga2 111.7(2) . .
N2 O5 Ga2 111.7(2) . .
N2 O5 Tb1 120.3(2) . .
Ga2 O5 Tb1 127.64(12) . .
C14 O6 Ga1 125.0(3) . .
C15 O7 Ga1 111.9(2) . .
C15 O7 Tb1 132.4(2) . .
Ga1 O7 Tb1 102.88(11) . .
N3 O8 Ga1 111.2(2) . .
C21 O9 Tb1 138.6(2) . .
C22 O10 Ga1 112.6(3) . .
N4 O11 Ga1 107.9(2) . .
N4 O11 Tb1 116.1(2) . .
Ga1 O11 Tb1 100.55(11) . .
C1 N1 O2 113.4(3) 7_557 .
C1 N1 Ga2 127.6(3) 7_557 .
O2 N1 Ga2 118.2(2) . .
C8 N2 O5 113.3(3) . .
C8 N2 Ga1 129.3(3) . .
O5 N2 Ga1 117.3(2) . .
C15 N3 O8 118.9(3) . .
C22 N4 O11 119.0(3) . .
C100 N100 C104 117.9(4) . .
C100 N100 Ga2 122.9(3) . .
C104 N100 Ga2 119.1(3) . .
C114 N110 C110 118.2(4) . .
C114 N110 Ga2 121.9(3) . .
C110 N110 Ga2 119.9(3) . .
O1 C1 N1 121.5(4) . 7_557
O1 C1 C2 118.8(4) . .
N1 C1 C2 119.7(4) 7_557 .
C3 C2 C7 118.7(4) . .
C3 C2 C1 116.2(4) . .
C7 C2 C1 125.1(4) . .
C4 C3 C2 121.9(5) . .
C5 C4 C3 119.1(5) . .
C6 C5 C4 120.3(4) . .
C5 C6 C7 122.0(5) . .
O3 C7 C6 117.2(4) 7_557 .
O3 C7 C2 124.8(4) 7_557 .
C6 C7 C2 118.0(4) . .
O4 C8 N2 121.7(4) . .
O4 C8 C9 119.8(4) . .
N2 C8 C9 118.5(4) . .
C10 C9 C14 119.6(4) . .
C10 C9 C8 116.8(4) . .
C14 C9 C8 123.6(4) . .
C11 C10 C9 121.5(4) . .
C10 C11 C12 119.1(4) . .
C13 C12 C11 120.4(4) . .
C12 C13 C14 121.7(4) . .
O6 C14 C13 117.6(4) . .
O6 C14 C9 124.8(4) . .
C13 C14 C9 117.6(4) . .
O7 C15 N3 117.2(4) . .
O7 C15 C16 121.9(3) . .
N3 C15 C16 120.8(4) . .
C17 C16 C21 120.4(4) . .
C17 C16 C15 119.8(4) . .
C21 C16 C15 119.8(3) . .
C18 C17 C16 120.9(4) . .
C17 C18 C19 119.1(4) . .
C20 C19 C18 120.7(4) . .
C19 C20 C21 122.0(4) . .
O9 C21 C20 120.6(4) . .
O9 C21 C16 122.6(4) . .
C20 C21 C16 116.8(4) . .
O10 C22 N4 119.0(4) . .
O10 C22 C23 119.6(4) . .
N4 C22 C23 121.4(4) . .
C24 C23 C28 118.7(5) . .
C24 C23 C22 117.7(5) . .
C28 C23 C22 123.5(5) . .
C23 C24 C25 120.5(7) . .
C26 C25 C24 120.1(8) . .
C27 C26 C25 120.3(6) . .
C26 C27 C28 121.3(7) . .
O12 C28 C23 118.8(5) . .
O12 C28 C27 122.0(6) . .
C23 C28 C27 119.2(6) . .
N100 C100 C101 122.7(5) . .
C102 C101 C100 118.5(5) . .
C103 C102 C101 119.0(5) . .
C104 C103 C102 119.0(5) . .
N100 C104 C103 122.8(5) . .
N110 C110 C111 122.4(5) . .
C112 C111 C110 118.8(5) . .
C111 C112 C113 119.5(5) . .
C112 C113 C114 118.3(5) . .
N110 C114 C113 122.8(5) . .
C600 N600 C601 119.6(4) 2_556 .
C602 C601 N600 121.6(6) . .
C602 C602 C601 118.8(4) 2_556 .
C200 N200 C204 116.1(8) . .
N200 C200 C201 123.0(9) . .
C202 C201 C200 117.4(10) . .
C201 C202 C203 120.6(10) . .
C204 C203 C202 118.3(12) . .
N200 C204 C203 124.2(12) . .
C214 N210 C210 116.5(17) . .
N210 C210 C211 120.0(19) . .
C212 C211 C210 119.1(17) . .
C211 C212 C213 119(2) . .
C214 C213 C212 120(2) . .
C213 C214 N210 122.8(18) . .
C500 O500 Tb1 127.5(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1 2.272(3) .
Tb1 O9 2.303(3) .
Tb1 O2 2.311(3) .
Tb1 O2 2.323(3) 7_557
Tb1 O5 2.333(3) .
Tb1 O510 2.358(18) .
Tb1 O7 2.417(3) .
Tb1 O500 2.46(2) .
Tb1 O11 2.541(3) .
Tb1 Ga1 3.5091(5) .
Tb1 Tb1 3.8323(4) 7_557
Ga1 O6 1.880(3) .
Ga1 O8 1.949(3) .
Ga1 O10 1.963(3) .
Ga1 N2 1.998(3) .
Ga1 O11 1.999(3) .
Ga1 O7 2.062(3) .
Ga2 O3 1.874(3) .
Ga2 O5 1.952(3) .
Ga2 O4 1.954(3) .
Ga2 N1 1.963(3) .
Ga2 N110 2.133(4) .
Ga2 N100 2.165(4) .
O1 C1 1.281(5) .
O2 N1 1.392(4) .
O2 Tb1 2.323(3) 7_557
O3 C7 1.333(5) 7_557
O4 C8 1.289(5) .
O5 N2 1.398(4) .
O6 C14 1.324(5) .
O7 C15 1.287(5) .
O8 N3 1.373(4) .
O9 C21 1.311(5) .
O10 C22 1.280(5) .
O11 N4 1.373(4) .
O12 C28 1.321(8) .
N1 C1 1.313(5) 7_557
N2 C8 1.310(5) .
N3 C15 1.309(5) .
N4 C22 1.299(6) .
N100 C100 1.321(6) .
N100 C104 1.340(6) .
N110 C114 1.332(6) .
N110 C110 1.336(5) .
C1 N1 1.313(5) 7_557
C1 C2 1.478(5) .
C2 C3 1.402(6) .
C2 C7 1.407(6) .
C3 C4 1.378(6) .
C4 C5 1.375(7) .
C5 C6 1.369(7) .
C6 C7 1.400(6) .
C7 O3 1.333(5) 7_557
C8 C9 1.475(5) .
C9 C10 1.398(6) .
C9 C14 1.414(6) .
C10 C11 1.378(6) .
C11 C12 1.387(7) .
C12 C13 1.376(6) .
C13 C14 1.402(6) .
C15 C16 1.462(6) .
C16 C17 1.399(6) .
C16 C21 1.415(5) .
C17 C18 1.378(7) .
C18 C19 1.383(7) .
C19 C20 1.372(6) .
C20 C21 1.400(6) .
C22 C23 1.474(6) .
C23 C24 1.369(8) .
C23 C28 1.380(8) .
C24 C25 1.381(9) .
C25 C26 1.368(12) .
C26 C27 1.312(11) .
C27 C28 1.405(8) .
C100 C101 1.382(7) .
C101 C102 1.374(8) .
C102 C103 1.367(9) .
C103 C104 1.365(7) .
C110 C111 1.374(7) .
C111 C112 1.370(9) .
C112 C113 1.376(8) .
C113 C114 1.377(7) .
N600 C600 1.298(12) 2_556
N600 C601 1.371(10) .
C601 C602 1.357(11) .
C602 C602 1.348(17) 2_556
N200 C200 1.330(10) .
N200 C204 1.338(15) .
C200 C201 1.393(13) .
C201 C202 1.347(19) .
C202 C203 1.358(17) .
C203 C204 1.339(16) .
C830 O830 1.325(13) .
N210 C214 1.343(18) .
N210 C210 1.352(18) .
C210 C211 1.44(2) .
C211 C212 1.33(2) .
C212 C213 1.35(2) .
C213 C214 1.342(19) .
C810 O810 1.342(13) .
C500 O500 1.477(17) .
