#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:34:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179413 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/10/4331019.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_4331019
loop_
_publ_author_name
'Philip A. Smith'
'Carlos Crawford'
'Nuquie Beedoe'
'Zerihun Assefa'
'Richard E. Sykora'
_publ_contact_author_address
;University of South Alabama
Department of Chemistry
Chemistry Building, Room 223
Mobile  AL  36688-0002
;
_publ_contact_author_email       rsykora@southalabama.edu
_publ_contact_author_fax         1(251)4607359
_publ_contact_author_name        'Richard E. Sykora'
_publ_contact_author_phone       1(251)4607422
_publ_section_title
;
 Synthesis, Crystal Structures, and Dual Donor Luminescence Sensitization
 in Novel Terbium Tetracyanoplatinates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12230
_journal_page_last               12241
_journal_paper_doi               10.1021/ic3013975
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety
;
2(C40 H41 N6 O12 Tb2), C4 N4 Pt, 7(H2 O)
;
_chemical_formula_sum            'C84 H96 N16 O31 Pt Tb4'
_chemical_formula_weight         2656.54
_chemical_name_systematic
; 
 ? 
;
_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                110.107(2)
_cell_angle_beta                 90.7590(10)
_cell_angle_gamma                112.6950(10)
_cell_formula_units_Z            1
_cell_length_a                   12.2032(2)
_cell_length_b                   12.6534(2)
_cell_length_c                   18.2778(3)
_cell_measurement_reflns_used    16611
_cell_measurement_temperature    290(2)
_cell_measurement_theta_max      25.2955
_cell_measurement_theta_min      3.1242
_cell_volume                     2410.17(8)
_computing_cell_refinement
'CrysAlisPro Oxford Diffraction, (2010)'
_computing_data_collection
'CrysAlisPro Oxford Diffraction, (2010)'
_computing_data_reduction
'CrysAlisPro Oxford Diffraction, (2010)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2008)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      290(2)
_diffrn_detector_area_resol_mean 16.0514
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Excalibur, Eos'
_diffrn_measurement_method       '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  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29498
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    4.429
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70412
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrysAlisPro
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.830
_exptl_crystal_description       plate
_exptl_crystal_F_000             1298
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.700
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         8820
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.930
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0243
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0253P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0455
_refine_ls_wR_factor_ref         0.0481
_reflns_number_gt                6764
_reflns_number_total             8820
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic3013975_si_001_1.cif
_cod_data_source_block           4
_cod_original_cell_volume        2410.17(7)
_cod_database_code               4331019
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
Tb1 Tb 0.655259(15) 0.739526(16) 0.351272(9) 0.02563(5) Uani 1 1 d .
Tb2 Tb 0.348225(15) 0.239956(16) 0.149396(9) 0.02485(5) Uani 1 1 d .
Pt1 Pt 0.97670(3) 0.51795(3) 0.024080(19) 0.03812(9) Uani 0.50 1 d P
C1 C 0.4170(3) 0.4721(3) 0.3371(2) 0.0285(8) Uani 1 1 d .
C2 C 0.3288(4) 0.4947(5) 0.3903(3) 0.0798(17) Uani 1 1 d .
H2A H 0.3557 0.5820 0.4193 0.120 Uiso 1 1 calc R
H2B H 0.3233 0.4539 0.4266 0.120 Uiso 1 1 calc R
H2C H 0.2510 0.4626 0.3590 0.120 Uiso 1 1 calc R
C3 C 0.7511(4) 0.8045(4) 0.1901(2) 0.0479(11) Uani 1 1 d .
H3 H 0.7198 0.7186 0.1689 0.057 Uiso 1 1 calc R
C4 C 0.8148(4) 0.8687(5) 0.1453(3) 0.0606(13) Uani 1 1 d .
H4 H 0.8261 0.8270 0.0951 0.073 Uiso 1 1 calc R
C5 C 0.8599(4) 0.9935(6) 0.1765(3) 0.0690(15) Uani 1 1 d .
H5 H 0.9034 1.0386 0.1477 0.083 Uiso 1 1 calc R
C6 C 0.8420(4) 1.0548(4) 0.2510(3) 0.0547(12) Uani 1 1 d .
H6 H 0.8740 1.1408 0.2730 0.066 Uiso 1 1 calc R
C7 C 0.7754(3) 0.9852(4) 0.2919(2) 0.0353(9) Uani 1 1 d .
C8 C 0.7480(3) 1.0437(4) 0.3705(2) 0.0325(9) Uani 1 1 d .
C9 C 0.7656(3) 1.1669(4) 0.3996(3) 0.0459(11) Uani 1 1 d .
H9 H 0.7981 1.2161 0.3706 0.055 Uiso 1 1 calc R
C10 C 0.7346(4) 1.2156(4) 0.4714(3) 0.0498(11) Uani 1 1 d .
H10 H 0.7455 1.2978 0.4914 0.060 Uiso 1 1 calc R
C11 C 0.6876(4) 1.1421(4) 0.5131(2) 0.0437(10) Uani 1 1 d .
H11 H 0.6653 1.1736 0.5616 0.052 Uiso 1 1 calc R
C12 C 0.6733(3) 1.0204(3) 0.4826(2) 0.0324(9) Uani 1 1 d .
C13 C 0.6300(3) 0.9382(3) 0.5274(2) 0.0317(9) Uani 1 1 d .
C14 C 0.5955(4) 0.9750(4) 0.6008(2) 0.0472(11) Uani 1 1 d .
H14A H 0.5968 1.0536 0.6233 0.057 Uiso 1 1 calc R
C15 C 0.5595(4) 0.8958(5) 0.6398(2) 0.0550(12) Uani 1 1 d .
H15A H 0.5367 0.9203 0.6891 0.066 Uiso 1 1 calc R
C16 C 0.5574(4) 0.7808(5) 0.6060(2) 0.0520(12) Uani 1 1 d .
H16A H 0.5338 0.7256 0.6317 0.062 Uiso 1 1 calc R
C17 C 0.5912(4) 0.7479(4) 0.5326(2) 0.0473(11) Uani 1 1 d .
H17 H 0.5898 0.6693 0.5095 0.057 Uiso 1 1 calc R
C18 C 0.8773(4) 0.7856(5) 0.4299(3) 0.0516(12) Uani 1 1 d .
C19 C 0.9998(4) 0.8211(6) 0.4743(3) 0.102(2) Uani 1 1 d .
H19A H 1.0070 0.7480 0.4739 0.153 Uiso 1 1 calc R
H19B H 1.0085 0.8754 0.5279 0.153 Uiso 1 1 calc R
H19C H 1.0616 0.8625 0.4493 0.153 Uiso 1 1 calc R
C20 C 0.4261(3) 0.6929(4) 0.2754(2) 0.0347(9) Uani 1 1 d .
C21 C 0.2998(4) 0.6596(5) 0.2414(2) 0.0610(13) Uani 1 1 d .
H21A H 0.3008 0.7053 0.2088 0.091 Uiso 1 1 calc R
H21B H 0.2560 0.6795 0.2835 0.091 Uiso 1 1 calc R
H21C H 0.2613 0.5725 0.2101 0.091 Uiso 1 1 calc R
C22 C 0.4901(3) 0.2889(4) -0.0038(2) 0.0401(10) Uani 1 1 d .
H22 H 0.5123 0.3700 0.0313 0.048 Uiso 1 1 calc R
C23 C 0.5188(4) 0.2693(4) -0.0789(2) 0.0476(11) Uani 1 1 d .
H23 H 0.5582 0.3355 -0.0941 0.057 Uiso 1 1 calc R
C24 C 0.4881(4) 0.1513(5) -0.1298(2) 0.0507(12) Uani 1 1 d .
H24 H 0.5051 0.1355 -0.1809 0.061 Uiso 1 1 calc R
C25 C 0.4320(4) 0.0557(4) -0.1054(2) 0.0442(10) Uani 1 1 d .
H25 H 0.4130 -0.0253 -0.1392 0.053 Uiso 1 1 calc R
C26 C 0.4033(3) 0.0802(3) -0.0294(2) 0.0303(8) Uani 1 1 d .
C27 C 0.3414(3) -0.0182(3) 0.0004(2) 0.0321(9) Uani 1 1 d .
C28 C 0.3227(3) -0.1403(4) -0.0429(2) 0.0436(10) Uani 1 1 d .
H28 H 0.3483 -0.1610 -0.0915 0.052 Uiso 1 1 calc R
C29 C 0.2663(4) -0.2294(4) -0.0131(3) 0.0548(12) Uani 1 1 d .
H29 H 0.2530 -0.3112 -0.0413 0.066 Uiso 1 1 calc R
C30 C 0.2294(3) -0.1970(4) 0.0587(3) 0.0461(11) Uani 1 1 d .
H30 H 0.1923 -0.2562 0.0802 0.055 Uiso 1 1 calc R
C31 C 0.2481(3) -0.0751(3) 0.0988(2) 0.0348(9) Uani 1 1 d .
C32 C 0.2020(3) -0.0361(4) 0.1734(2) 0.0376(10) Uani 1 1 d .
C33 C 0.1362(4) -0.1194(4) 0.2072(3) 0.0584(12) Uani 1 1 d .
H33 H 0.1218 -0.2024 0.1834 0.070 Uiso 1 1 calc R
C34 C 0.0925(4) -0.0797(5) 0.2753(3) 0.0679(14) Uani 1 1 d .
H34 H 0.0493 -0.1350 0.2982 0.081 Uiso 1 1 calc R
C35 C 0.1131(4) 0.0414(5) 0.3087(3) 0.0646(14) Uani 1 1 d .
H35 H 0.0837 0.0707 0.3545 0.078 Uiso 1 1 calc R
C36 C 0.1794(4) 0.1206(4) 0.2727(2) 0.0510(11) Uani 1 1 d .
H36 H 0.1938 0.2037 0.2957 0.061 Uiso 1 1 calc R
C37 C 0.5829(3) 0.2953(4) 0.2168(2) 0.0321(9) Uani 1 1 d .
C38 C 0.7004(4) 0.3350(4) 0.2678(3) 0.0635(13) Uani 1 1 d .
H38A H 0.7569 0.3176 0.2349 0.095 Uiso 1 1 calc R
H38B H 0.6872 0.2905 0.3025 0.095 Uiso 1 1 calc R
H38C H 0.7321 0.4222 0.2987 0.095 Uiso 1 1 calc R
C39 C 0.1161(3) 0.1942(4) 0.0822(2) 0.0354(9) Uani 1 1 d .
C40 C -0.0024(4) 0.1717(4) 0.0412(3) 0.0557(12) Uani 1 1 d .
H40A H -0.0657 0.1349 0.0672 0.083 Uiso 1 1 calc R
H40B H -0.0162 0.1169 -0.0129 0.083 Uiso 1 1 calc R
H40C H -0.0014 0.2489 0.0432 0.083 Uiso 1 1 calc R
C41A C 0.8817(9) 0.5209(8) -0.0377(6) 0.048(2) Uani 0.50 1 d P
C41B C 0.8343(9) 0.5494(8) 0.0062(6) 0.042(2) Uani 0.50 1 d P
C42A C 1.0069(8) 0.5080(8) 0.0858(6) 0.047(2) Uani 0.50 1 d P
C42B C 0.9536(10) 0.5467(11) 0.1364(9) 0.053(4) Uani 0.50 1 d P
N1 N 0.7325(3) 0.8608(3) 0.26270(17) 0.0365(8) Uani 1 1 d .
N2 N 0.7017(2) 0.9707(3) 0.41154(16) 0.0283(7) Uani 1 1 d .
N3 N 0.6260(3) 0.8233(3) 0.49285(16) 0.0337(7) Uani 1 1 d .
N4 N 0.4318(2) 0.1969(3) 0.02108(16) 0.0300(7) Uani 1 1 d .
N5 N 0.3051(2) 0.0134(3) 0.07072(17) 0.0285(7) Uani 1 1 d .
N6 N 0.2233(3) 0.0841(3) 0.20716(18) 0.0372(8) Uani 1 1 d .
N7A N 0.7994(9) 0.5435(8) -0.0426(6) 0.057(2) Uani 0.50 1 d P
N7B N 0.7508(8) 0.5701(8) -0.0043(6) 0.062(2) Uani 0.50 1 d P
N8A N 0.9955(10) 0.5213(11) 0.1503(6) 0.071(3) Uani 0.50 1 d P
N8B N 0.9419(7) 0.5653(8) 0.1997(5) 0.065(2) Uani 0.50 1 d P
O1 O 0.5229(2) 0.5523(2) 0.35468(14) 0.0363(6) Uani 1 1 d .
O2 O 0.3775(2) 0.3730(2) 0.27920(14) 0.0382(6) Uani 1 1 d .
O3 O 0.4897(2) 0.6447(2) 0.23480(13) 0.0341(6) Uani 1 1 d .
O4 O 0.4688(2) 0.7701(2) 0.34524(15) 0.0416(7) Uani 1 1 d .
O5 O 0.7867(2) 0.6962(3) 0.43262(16) 0.0478(7) Uani 1 1 d .
O6 O 0.8688(2) 0.8493(3) 0.39210(17) 0.0511(8) Uani 1 1 d .
O7 O 0.7209(2) 0.6049(2) 0.25431(16) 0.0445(7) Uani 1 1 d .
H7A H 0.6697 0.5303 0.2403 0.067 Uiso 1 1 d .
H7B H 0.7889 0.6099 0.2415 0.067 Uiso 1 1 d .
O8 O 0.1856(2) 0.1566(2) 0.04176(14) 0.0383(6) Uani 1 1 d .
O9 O 0.1465(2) 0.2500(3) 0.15643(15) 0.0450(7) Uani 1 1 d .
O10 O 0.4970(2) 0.1938(2) 0.20692(14) 0.0370(6) Uani 1 1 d .
O11 O 0.5714(2) 0.3654(2) 0.18459(13) 0.0320(6) Uani 1 1 d .
O12 O 0.3775(2) 0.4182(2) 0.12302(13) 0.0373(6) Uani 1 1 d .
H12A H 0.4205 0.4907 0.1561 0.056 Uiso 1 1 d .
H12B H 0.3346 0.4206 0.0871 0.056 Uiso 1 1 d .
O13 O 0.0042(4) 0.4399(6) 0.3938(2) 0.152(2) Uani 1 1 d .
H13A H 0.0065 0.3900 0.3493 0.228 Uiso 1 1 d .
H13B H 0.0660 0.4612 0.4267 0.228 Uiso 1 1 d .
O14 O 0.0141(4) 0.3658(4) 0.2401(2) 0.1086(16) Uani 1 1 d .
H14B H 0.0208 0.4281 0.2294 0.163 Uiso 1 1 d .
H14C H 0.0561 0.3333 0.2118 0.163 Uiso 1 1 d .
O15 O 0.1606(3) 0.4860(3) 0.5276(2) 0.0767(11) Uani 1 1 d .
H15B H 0.1886 0.4342 0.5278 0.115 Uiso 1 1 d .
H15C H 0.1213 0.4882 0.5658 0.115 Uiso 1 1 d .
O16 O 0.9576(6) 0.6257(7) 0.3036(4) 0.083(2) Uani 0.50 1 d P
H16B H 0.9869 0.6205 0.2612 0.125 Uiso 0.50 1 d P
H16C H 1.0131 0.6791 0.3424 0.125 Uiso 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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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 O7 81.12(8) . .
O1 Tb1 O6 130.67(9) . .
O7 Tb1 O6 79.71(9) . .
O1 Tb1 O4 81.78(9) . .
O7 Tb1 O4 130.14(9) . .
O6 Tb1 O4 142.51(9) . .
O1 Tb1 O5 78.30(9) . .
O7 Tb1 O5 76.79(9) . .
O6 Tb1 O5 53.20(9) . .
O4 Tb1 O5 143.11(9) . .
O1 Tb1 O3 73.79(8) . .
O7 Tb1 O3 78.08(8) . .
O6 Tb1 O3 143.22(9) . .
O4 Tb1 O3 52.19(8) . .
O5 Tb1 O3 144.80(9) . .
O1 Tb1 N3 83.12(9) . .
O7 Tb1 N3 148.06(9) . .
O6 Tb1 N3 89.96(10) . .
O4 Tb1 N3 74.14(9) . .
O5 Tb1 N3 72.89(9) . .
O3 Tb1 N3 123.42(8) . .
O1 Tb1 N1 144.77(9) . .
O7 Tb1 N1 78.78(9) . .
O6 Tb1 N1 73.24(9) . .
O4 Tb1 N1 89.46(9) . .
O5 Tb1 N1 123.92(9) . .
O3 Tb1 N1 73.93(9) . .
N3 Tb1 N1 127.16(10) . .
O1 Tb1 N2 140.32(9) . .
O7 Tb1 N2 138.45(9) . .
O6 Tb1 N2 72.97(9) . .
O4 Tb1 N2 69.55(9) . .
O5 Tb1 N2 108.80(9) . .
O3 Tb1 N2 106.37(8) . .
N3 Tb1 N2 63.37(9) . .
N1 Tb1 N2 63.82(9) . .
O1 Tb1 C18 104.63(12) . .
O7 Tb1 C18 77.25(11) . .
O6 Tb1 C18 26.58(11) . .
O4 Tb1 C18 152.58(11) . .
O5 Tb1 C18 26.63(11) . .
O3 Tb1 C18 155.21(11) . .
N3 Tb1 C18 80.13(11) . .
N1 Tb1 C18 98.77(12) . .
N2 Tb1 C18 90.62(11) . .
O1 Tb1 C20 74.56(10) . .
O7 Tb1 C20 104.06(10) . .
O6 Tb1 C20 154.46(10) . .
O4 Tb1 C20 26.08(9) . .
O5 Tb1 C20 152.30(10) . .
O3 Tb1 C20 26.23(9) . .
N3 Tb1 C20 98.22(10) . .
N1 Tb1 C20 82.64(10) . .
N2 Tb1 C20 89.10(10) . .
C18 Tb1 C20 178.27(12) . .
O2 Tb2 O12 82.97(8) . .
O2 Tb2 O8 130.97(8) . .
O12 Tb2 O8 79.03(8) . .
O2 Tb2 O10 81.15(8) . .
O12 Tb2 O10 128.48(8) . .
O8 Tb2 O10 143.46(9) . .
O2 Tb2 O11 75.72(8) . .
O12 Tb2 O11 75.97(8) . .
O8 Tb2 O11 140.26(8) . .
O10 Tb2 O11 52.66(8) . .
O2 Tb2 O9 78.92(9) . .
O12 Tb2 O9 76.61(9) . .
O8 Tb2 O9 52.68(8) . .
O10 Tb2 O9 145.35(8) . .
O11 Tb2 O9 144.49(9) . .
O2 Tb2 N4 146.86(9) . .
O12 Tb2 N4 78.47(9) . .
O8 Tb2 N4 71.79(8) . .
O10 Tb2 N4 89.22(8) . .
O11 Tb2 N4 73.29(8) . .
O9 Tb2 N4 122.15(8) . .
O2 Tb2 N6 80.81(10) . .
O12 Tb2 N6 147.35(9) . .
O8 Tb2 N6 90.60(9) . .
O10 Tb2 N6 76.47(9) . .
O11 Tb2 N6 126.19(8) . .
O9 Tb2 N6 72.58(9) . .
N4 Tb2 N6 127.70(10) . .
O2 Tb2 N5 139.39(9) . .
O12 Tb2 N5 137.64(8) . .
O8 Tb2 N5 71.25(8) . .
O10 Tb2 N5 72.39(8) . .
O11 Tb2 N5 109.14(8) . .
O9 Tb2 N5 106.31(9) . .
N4 Tb2 N5 64.11(9) . .
N6 Tb2 N5 63.61(10) . .
O2 Tb2 C37 74.12(9) . .
O12 Tb2 C37 102.17(10) . .
O8 Tb2 C37 154.32(9) . .
O10 Tb2 C37 26.33(9) . .
O11 Tb2 C37 26.65(9) . .
O9 Tb2 C37 152.92(9) . .
N4 Tb2 C37 83.23(9) . .
N6 Tb2 C37 100.35(10) . .
N5 Tb2 C37 92.81(10) . .
O2 Tb2 C39 105.08(10) . .
O12 Tb2 C39 75.60(9) . .
O8 Tb2 C39 26.14(9) . .
O10 Tb2 C39 155.92(10) . .
O11 Tb2 C39 151.21(9) . .
O9 Tb2 C39 26.57(9) . .
N4 Tb2 C39 96.61(10) . .
N6 Tb2 C39 81.55(10) . .
N5 Tb2 C39 89.15(10) . .
C37 Tb2 C39 177.73(11) . .
Pt1 Pt1 C42A 111.1(5) 2_765 .
Pt1 Pt1 C41A 92.0(4) 2_765 .
C42A Pt1 C41A 153.3(5) . .
Pt1 Pt1 C42A 36.6(3) 2_765 2_765
C42A Pt1 C42A 147.7(3) . 2_765
Pt1 Pt1 C41B 123.7(3) 2_765 .
C42A Pt1 C41B 123.1(5) . .
C42A Pt1 C41B 88.2(4) 2_765 .
Pt1 Pt1 C42B 146.0(3) 2_765 .
C41A Pt1 C42B 120.8(5) . .
C42A Pt1 C42B 177.4(4) 2_765 .
C41B Pt1 C42B 89.2(4) . .
Pt1 Pt1 C41A 54.2(3) 2_765 2_765
C42A Pt1 C41A 58.3(5) . 2_765
C41A Pt1 C41A 146.2(2) . 2_765
C42A Pt1 C41A 90.1(4) 2_765 2_765
C41B Pt1 C41A 177.4(4) . 2_765
C42B Pt1 C41A 92.6(4) . 2_765
Pt1 Pt1 N8A 126.7(3) 2_765 .
C41A Pt1 N8A 139.1(5) . .
C42A Pt1 N8A 163.3(5) 2_765 .
C41B Pt1 N8A 107.9(4) . .
C41A Pt1 N8A 73.7(4) 2_765 .
O2 C1 O1 125.4(3) . .
O2 C1 C2 116.2(4) . .
O1 C1 C2 118.4(4) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N1 C3 C4 123.0(4) . .
N1 C3 H3 118.5 . .
C4 C3 H3 118.5 . .
C5 C4 C3 118.1(4) . .
C5 C4 H4 120.9 . .
C3 C4 H4 120.9 . .
C4 C5 C6 120.6(4) . .
C4 C5 H5 119.7 . .
C6 C5 H5 119.7 . .
C7 C6 C5 118.4(4) . .
C7 C6 H6 120.8 . .
C5 C6 H6 120.8 . .
N1 C7 C6 121.8(4) . .
N1 C7 C8 116.5(3) . .
C6 C7 C8 121.7(4) . .
N2 C8 C9 121.4(3) . .
N2 C8 C7 116.9(3) . .
C9 C8 C7 121.6(3) . .
C10 C9 C8 119.4(4) . .
C10 C9 H9 120.3 . .
C8 C9 H9 120.3 . .
C11 C10 C9 119.4(4) . .
C11 C10 H10 120.3 . .
C9 C10 H10 120.3 . .
C10 C11 C12 119.4(4) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
N2 C12 C11 121.9(4) . .
N2 C12 C13 116.1(3) . .
C11 C12 C13 121.9(3) . .
N3 C13 C14 120.8(4) . .
N3 C13 C12 116.1(3) . .
C14 C13 C12 123.1(3) . .
C15 C14 C13 120.1(4) . .
C15 C14 H14A 120.0 . .
C13 C14 H14A 120.0 . .
C16 C15 C14 119.4(4) . .
C16 C15 H15A 120.3 . .
C14 C15 H15A 120.3 . .
C15 C16 C17 118.4(4) . .
C15 C16 H16A 120.8 . .
C17 C16 H16A 120.8 . .
N3 C17 C16 123.4(4) . .
N3 C17 H17 118.3 . .
C16 C17 H17 118.3 . .
O5 C18 O6 121.4(4) . .
O5 C18 C19 120.3(4) . .
O6 C18 C19 118.3(4) . .
O5 C18 Tb1 63.2(2) . .
O6 C18 Tb1 58.2(2) . .
C19 C18 Tb1 175.5(4) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O4 C20 O3 120.2(3) . .
O4 C20 C21 119.2(3) . .
O3 C20 C21 120.6(4) . .
O4 C20 Tb1 59.07(17) . .
O3 C20 Tb1 61.57(18) . .
C21 C20 Tb1 173.2(3) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N4 C22 C23 123.3(4) . .
N4 C22 H22 118.3 . .
C23 C22 H22 118.3 . .
C24 C23 C22 118.5(4) . .
C24 C23 H23 120.7 . .
C22 C23 H23 120.7 . .
C23 C24 C25 119.5(4) . .
C23 C24 H24 120.3 . .
C25 C24 H24 120.3 . .
C24 C25 C26 119.7(4) . .
C24 C25 H25 120.1 . .
C26 C25 H25 120.1 . .
N4 C26 C25 121.2(4) . .
N4 C26 C27 116.2(3) . .
C25 C26 C27 122.7(3) . .
N5 C27 C28 121.2(4) . .
N5 C27 C26 118.1(3) . .
C28 C27 C26 120.7(3) . .
C29 C28 C27 119.3(4) . .
C29 C28 H28 120.4 . .
C27 C28 H28 120.4 . .
C28 C29 C30 119.5(4) . .
C28 C29 H29 120.3 . .
C30 C29 H29 120.3 . .
C29 C30 C31 119.1(4) . .
C29 C30 H30 120.5 . .
C31 C30 H30 120.5 . .
N5 C31 C30 121.9(4) . .
N5 C31 C32 116.4(3) . .
C30 C31 C32 121.7(4) . .
N6 C32 C33 120.4(4) . .
N6 C32 C31 117.2(3) . .
C33 C32 C31 122.4(4) . .
C34 C33 C32 120.4(4) . .
C34 C33 H33 119.8 . .
C32 C33 H33 119.8 . .
C35 C34 C33 119.0(4) . .
C35 C34 H34 120.5 . .
C33 C34 H34 120.5 . .
C34 C35 C36 118.3(4) . .
C34 C35 H35 120.9 . .
C36 C35 H35 120.9 . .
N6 C36 C35 123.6(4) . .
N6 C36 H36 118.2 . .
C35 C36 H36 118.2 . .
O10 C37 O11 120.6(3) . .
O10 C37 C38 119.9(3) . .
O11 C37 C38 119.5(4) . .
O10 C37 Tb2 59.34(17) . .
O11 C37 Tb2 62.44(17) . .
C38 C37 Tb2 168.8(3) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
O8 C39 O9 120.0(3) . .
O8 C39 C40 119.0(4) . .
O9 C39 C40 120.9(4) . .
O8 C39 Tb2 57.49(18) . .
O9 C39 Tb2 62.63(18) . .
C40 C39 Tb2 175.6(3) . .
C39 C40 H40A 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
N7A C41A Pt1 143.6(12) . .
C41B C41A C42A 162.7(12) . 2_765
N7A C41A C42A 144.6(12) . 2_765
Pt1 C41A C42A 71.2(5) . 2_765
Pt1 C41A N7B 122.3(6) . .
C42A C41A N7B 165.0(7) 2_765 .
C41B C41A Pt1 126.4(11) . 2_765
N7A C41A Pt1 177.3(11) . 2_765
N7B C41A Pt1 156.0(6) . 2_765
N7A C41B C41A 70.8(11) . .
N7A C41B N7B 53.6(10) . .
C41A C41B N7B 124.4(14) . .
N7A C41B Pt1 126.3(13) . .
C41A C41B Pt1 55.5(9) . .
N7B C41B Pt1 178.8(8) . .
N8A C42A Pt1 147.6(12) . .
C42B C42A Pt1 109.2(10) . .
N8A C42A C41A 128.1(11) . 2_765
C42B C42A C41A 162.6(10) . 2_765
Pt1 C42A C41A 83.6(6) . 2_765
N8A C42A Pt1 178.7(10) . 2_765
C42B C42A Pt1 141.4(9) . 2_765
C41A C42A Pt1 52.3(4) 2_765 2_765
N8A C42B N8B 77.9(16) . .
N8A C42B C42A 66.6(16) . .
N8B C42B C42A 144.4(13) . .
N8A C42B Pt1 102.5(19) . .
N8B C42B Pt1 178.6(11) . .
C3 N1 C7 118.0(3) . .
C3 N1 Tb1 120.2(3) . .
C7 N1 Tb1 120.8(2) . .
C12 N2 C8 118.4(3) . .
C12 N2 Tb1 120.9(2) . .
C8 N2 Tb1 120.5(2) . .
C17 N3 C13 117.9(3) . .
C17 N3 Tb1 119.5(2) . .
C13 N3 Tb1 122.1(2) . .
C22 N4 C26 117.7(3) . .
C22 N4 Tb2 120.5(2) . .
C26 N4 Tb2 121.0(2) . .
C31 N5 C27 119.0(3) . .
C31 N5 Tb2 121.3(2) . .
C27 N5 Tb2 119.7(2) . .
C36 N6 C32 118.3(3) . .
C36 N6 Tb2 120.4(3) . .
C32 N6 Tb2 121.3(2) . .
C41B N7A N7B 75.1(15) . .
C41B N7A C41A 58.3(9) . .
N7B N7A C41A 133.4(16) . .
N7A N7B C41B 51.4(8) . .
C42B N8A C42A 75.0(17) . .
C42B N8A N8B 63.6(17) . .
C42A N8A N8B 138.5(15) . .
C42B N8A Pt1 58.1(17) . .
N8B N8A Pt1 121.7(10) . .
C42B N8B O16 166.0(10) . .
N8A N8B O16 137.0(10) . .
C42B N8B H16B 144.5 . .
N8A N8B H16B 120.2 . .
C1 O1 Tb1 146.5(2) . .
C1 O2 Tb2 157.8(2) . .
C20 O3 Tb1 92.2(2) . .
C20 O4 Tb1 94.8(2) . .
C18 O5 Tb1 90.2(2) . .
C18 O6 Tb1 95.2(3) . .
Tb1 O7 H7A 110.4 . .
Tb1 O7 H7B 134.5 . .
H7A O7 H7B 111.9 . .
C39 O8 Tb2 96.4(2) . .
C39 O9 Tb2 90.8(2) . .
C37 O10 Tb2 94.3(2) . .
C37 O11 Tb2 90.9(2) . .
Tb2 O12 H12A 122.1 . .
Tb2 O12 H12B 125.4 . .
H12A O12 H12B 110.7 . .
H13A O13 H13B 109.8 . .
H14B O14 H14C 106.8 . .
H15B O15 H15C 102.0 . .
N8B O16 H16C 137.1 . .
H16B O16 H16C 108.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1 2.319(3) .
Tb1 O7 2.387(2) .
Tb1 O6 2.392(3) .
Tb1 O4 2.458(2) .
Tb1 O5 2.502(2) .
Tb1 O3 2.512(2) .
Tb1 N3 2.526(3) .
Tb1 N1 2.549(3) .
Tb1 N2 2.565(3) .
Tb1 C18 2.803(4) .
Tb1 C20 2.855(4) .
Tb2 O2 2.315(2) .
Tb2 O12 2.361(2) .
Tb2 O8 2.404(2) .
Tb2 O10 2.436(2) .
Tb2 O11 2.503(2) .
Tb2 O9 2.516(2) .
Tb2 N4 2.540(3) .
Tb2 N6 2.546(3) .
Tb2 N5 2.559(3) .
Tb2 C37 2.823(3) .
Tb2 C39 2.833(4) .
Pt1 Pt1 1.1145(6) 2_765
Pt1 C42A 1.244(9) .
Pt1 C41A 1.627(10) .
Pt1 C42A 1.947(10) 2_765
Pt1 C41B 1.973(11) .
Pt1 C42B 2.001(16) .
Pt1 C41A 2.004(10) 2_765
Pt1 N8A 2.300(11) .
C1 O2 1.238(4) .
C1 O1 1.247(4) .
C1 C2 1.503(5) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 N1 1.343(4) .
C3 C4 1.386(6) .
C3 H3 0.9300 .
C4 C5 1.350(6) .
C4 H4 0.9300 .
C5 C6 1.384(6) .
C5 H5 0.9300 .
C6 C7 1.383(5) .
C6 H6 0.9300 .
C7 N1 1.348(5) .
C7 C8 1.481(5) .
C8 N2 1.349(4) .
C8 C9 1.389(5) .
C9 C10 1.371(5) .
C9 H9 0.9300 .
C10 C11 1.365(6) .
C10 H10 0.9300 .
C11 C12 1.383(5) .
C11 H11 0.9300 .
C12 N2 1.349(4) .
C12 C13 1.484(5) .
C13 N3 1.352(4) .
C13 C14 1.389(5) .
C14 C15 1.367(6) .
C14 H14A 0.9300 .
C15 C16 1.361(6) .
C15 H15A 0.9300 .
C16 C17 1.381(5) .
C16 H16A 0.9300 .
C17 N3 1.338(5) .
C17 H17 0.9300 .
C18 O5 1.256(5) .
C18 O6 1.259(5) .
C18 C19 1.514(6) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 O4 1.260(4) .
C20 O3 1.263(4) .
C20 C21 1.495(5) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 N4 1.342(4) .
C22 C23 1.383(5) .
C22 H22 0.9300 .
C23 C24 1.357(6) .
C23 H23 0.9300 .
C24 C25 1.368(6) .
C24 H24 0.9300 .
C25 C26 1.395(5) .
C25 H25 0.9300 .
C26 N4 1.345(4) .
C26 C27 1.473(5) .
C27 N5 1.344(4) .
C27 C28 1.397(5) .
C28 C29 1.369(6) .
C28 H28 0.9300 .
C29 C30 1.371(6) .
C29 H29 0.9300 .
C30 C31 1.385(5) .
C30 H30 0.9300 .
C31 N5 1.343(4) .
C31 C32 1.480(5) .
C32 N6 1.344(5) .
C32 C33 1.395(5) .
C33 C34 1.371(6) .
C33 H33 0.9300 .
C34 C35 1.356(7) .
C34 H34 0.9300 .
C35 C36 1.392(6) .
C35 H35 0.9300 .
C36 N6 1.327(5) .
C36 H36 0.9300 .
C37 O10 1.256(4) .
C37 O11 1.267(4) .
C37 C38 1.506(5) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 O8 1.256(4) .
C39 O9 1.267(4) .
C39 C40 1.496(5) .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41A C41B 1.041(12) .
C41A N7A 1.156(12) .
C41A N7B 1.961(12) .
C41A Pt1 2.004(10) 2_765
C41B N7B 1.175(14) .
C42A N8A 1.151(13) .
C42A C42B 1.212(17) .
C42A Pt1 1.947(10) 2_765
C42B N8B 1.122(16) .
N7A N7B 0.978(11) .
N8A N8B 1.225(13) .
N8B O16 1.762(10) .
N8B H16B 1.0952 .
O7 H7A 0.8500 .
O7 H7B 0.8499 .
O12 H12A 0.8501 .
O12 H12B 0.8501 .
O13 H13A 0.8500 .
O13 H13B 0.8500 .
O14 H14B 0.8500 .
O14 H14C 0.8501 .
O15 H15B 0.8501 .
O15 H15C 0.8500 .
O16 H16B 0.8499 .
O16 H16C 0.8501 .
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
O7 H7A O11 0.85 1.84 2.675(3) 165.0 .
O7 H7B N8B 0.85 2.22 3.049(9) 163.7 .
O7 H7B O16 0.85 2.24 2.900(7) 134.1 .
O12 H12A O3 0.85 1.83 2.672(3) 170.2 .
O12 H12B N7B 0.85 1.89 2.736(9) 175.9 2_665
O12 H12B N7A 0.85 2.08 2.876(9) 155.2 2_665
