#------------------------------------------------------------------------------
#$Date: 2015-12-06 08:16:09 +0200 (Sun, 06 Dec 2015) $
#$Revision: 170787 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/44/4344433.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_4344433
loop_
_publ_author_name
'Geist, Fabian'
'Jackel, Andrej'
'Winter, Rainer F.'
_publ_section_title
;
 Ligand Based Dual Fluorescence and Phosphorescence Emission from BODIPY
 Platinum Complexes and Its Application to Ratiometric Singlet Oxygen
 Detection.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10946
_journal_page_last               10957
_journal_paper_doi               10.1021/acs.inorgchem.5b01969
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C46 H38 B Br Cl2 F2 N2 P2 Pt'
_chemical_formula_weight         1075.43
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 100.722(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.4348(10)
_cell_length_b                   10.9021(3)
_cell_length_c                   31.9717(13)
_cell_measurement_temperature    293(2)
_cell_volume                     8368.3(5)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            55753
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.993
_diffrn_reflns_theta_min         1.696
_exptl_absorpt_coefficient_mu    4.558
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_F_000             4224
_refine_diff_density_max         1.187
_refine_diff_density_min         -1.333
_refine_diff_density_rms         0.124
_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     537
_refine_ls_number_reflns         8165
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0204P)²+81.4552P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0783
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6903
_reflns_number_total             8165
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b01969_si_003.cif
_cod_data_source_block
C:\Users\Inaqui\Desktop\PhD_Betreuung\FabianGeist\fgbw15
_cod_depositor_comments
'Adding full bibliography for 4344433--4344435.cif.'
_cod_database_code               4344433
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.16930(19) 0.0648(5) 0.12697(16) 0.0200(10) Uani 1 1 d . . . . .
C2 C 0.1792(2) 0.1802(5) 0.14664(17) 0.0225(11) Uani 1 1 d . . . . .
C3 C 0.2007(2) 0.2093(5) 0.18938(17) 0.0251(11) Uani 1 1 d . . . . .
H3A H 0.2157 0.1546 0.2108 0.030 Uiso 1 1 calc R U . . .
C4 C 0.1953(3) 0.3361(5) 0.19353(19) 0.0329(13) Uani 1 1 d . . . . .
H4A H 0.2058 0.3819 0.2183 0.040 Uiso 1 1 calc R U . . .
C5 C 0.1709(2) 0.3813(5) 0.15336(19) 0.0316(13) Uani 1 1 d . . . . .
H5A H 0.1626 0.4633 0.1471 0.038 Uiso 1 1 calc R U . . .
C6 C 0.1393(2) 0.0601(5) 0.08510(16) 0.0231(11) Uani 1 1 d . . . . .
C7 C 0.1191(2) -0.0420(5) 0.05965(17) 0.0274(12) Uani 1 1 d . . . . .
H7A H 0.1260 -0.1242 0.0665 0.033 Uiso 1 1 calc R U . . .
C8 C 0.0870(3) 0.0044(5) 0.02229(18) 0.0310(13) Uani 1 1 d . . . . .
H8A H 0.0680 -0.0413 -0.0004 0.037 Uiso 1 1 calc R U . . .
C9 C 0.0887(3) 0.1314(6) 0.02538(18) 0.0318(13) Uani 1 1 d . . . . .
H9A H 0.0709 0.1850 0.0045 0.038 Uiso 1 1 calc R U . . .
C10 C 0.0594(2) 0.0337(5) 0.15944(16) 0.0226(11) Uani 1 1 d . . . . .
C11 C 0.0638(2) 0.1560(5) 0.17277(17) 0.0266(12) Uani 1 1 d . . . . .
H11A H 0.0898 0.1776 0.1967 0.032 Uiso 1 1 calc R U . . .
C12 C 0.0295(2) 0.2457(5) 0.15064(18) 0.0311(13) Uani 1 1 d . . . . .
H12A H 0.0325 0.3269 0.1598 0.037 Uiso 1 1 calc R U . . .
C13 C -0.0091(3) 0.2130(6) 0.11482(19) 0.0356(14) Uani 1 1 d . . . . .
H13A H -0.0318 0.2727 0.0997 0.043 Uiso 1 1 calc R U . . .
C14 C -0.0140(3) 0.0927(6) 0.10150(18) 0.0353(13) Uani 1 1 d . . . . .
H14A H -0.0406 0.0714 0.0779 0.042 Uiso 1 1 calc R U . . .
C15 C 0.0207(2) 0.0028(5) 0.12331(17) 0.0276(12) Uani 1 1 d . . . . .
H15A H 0.0179 -0.0779 0.1137 0.033 Uiso 1 1 calc R U . . .
C16 C 0.1170(2) -0.0497(5) 0.24175(16) 0.0223(11) Uani 1 1 d . . . . .
C17 C 0.0739(2) 0.0050(5) 0.25866(17) 0.0248(11) Uani 1 1 d . . . . .
H17A H 0.0412 0.0282 0.2406 0.030 Uiso 1 1 calc R U . . .
C18 C 0.0798(2) 0.0246(5) 0.30201(17) 0.0269(12) Uani 1 1 d . . . . .
H18A H 0.0506 0.0590 0.3130 0.032 Uiso 1 1 calc R U . . .
C19 C 0.1285(3) -0.0064(5) 0.32912(18) 0.0310(13) Uani 1 1 d . . . . .
H19A H 0.1324 0.0073 0.3582 0.037 Uiso 1 1 calc R U . . .
C20 C 0.1715(3) -0.0582(6) 0.31247(18) 0.0385(15) Uani 1 1 d . . . . .
H20A H 0.2046 -0.0785 0.3306 0.046 Uiso 1 1 calc R U . . .
C21 C 0.1659(2) -0.0802(6) 0.26914(17) 0.0327(13) Uani 1 1 d . . . . .
H21A H 0.1951 -0.1155 0.2585 0.039 Uiso 1 1 calc R U . . .
C22 C 0.0667(2) -0.2207(5) 0.17483(16) 0.0232(11) Uani 1 1 d . . . . .
C23 C 0.0751(2) -0.3033(5) 0.14352(17) 0.0270(12) Uani 1 1 d . . . . .
H23A H 0.1055 -0.2934 0.1301 0.032 Uiso 1 1 calc R U . . .
C24 C 0.0385(2) -0.4006(6) 0.13195(18) 0.0316(12) Uani 1 1 d . . . . .
H24A H 0.0447 -0.4558 0.1112 0.038 Uiso 1 1 calc R U . . .
C25 C -0.0069(2) -0.4148(6) 0.15147(19) 0.0339(13) Uani 1 1 d . . . . .
H25A H -0.0316 -0.4791 0.1435 0.041 Uiso 1 1 calc R U . . .
C26 C -0.0159(2) -0.3335(5) 0.18308(19) 0.0307(13) Uani 1 1 d . . . . .
H26A H -0.0464 -0.3437 0.1963 0.037 Uiso 1 1 calc R U . . .
C27 C 0.0208(2) -0.2376(5) 0.19478(17) 0.0275(12) Uani 1 1 d . . . . .
H27A H 0.0149 -0.1838 0.2161 0.033 Uiso 1 1 calc R U . . .
C28 C 0.2868(2) -0.2203(5) 0.10336(16) 0.0231(11) Uani 1 1 d . . . . .
C29 C 0.3329(2) -0.2192(5) 0.08309(18) 0.0290(12) Uani 1 1 d . . . . .
H29A H 0.3581 -0.1546 0.0876 0.035 Uiso 1 1 calc R U . . .
C30 C 0.3406(2) -0.3154(5) 0.05612(19) 0.0321(13) Uani 1 1 d . . . . .
H30A H 0.3712 -0.3146 0.0426 0.038 Uiso 1 1 calc R U . . .
C31 C 0.3034(3) -0.4120(6) 0.04922(18) 0.0340(13) Uani 1 1 d . . . . .
H31A H 0.3087 -0.4757 0.0310 0.041 Uiso 1 1 calc R U . . .
C32 C 0.2584(3) -0.4129(6) 0.06966(19) 0.0394(14) Uani 1 1 d . . . . .
H32A H 0.2336 -0.4784 0.0655 0.047 Uiso 1 1 calc R U . . .
C33 C 0.2496(3) -0.3175(5) 0.09625(18) 0.0305(12) Uani 1 1 d . . . . .
H33A H 0.2187 -0.3185 0.1094 0.037 Uiso 1 1 calc R U . . .
C34 C 0.3335(2) -0.0871(5) 0.18184(16) 0.0232(10) Uani 1 1 d . . . . .
C35 C 0.3785(2) -0.1659(5) 0.18592(18) 0.0280(12) Uani 1 1 d . . . . .
H35A H 0.3790 -0.2277 0.1659 0.034 Uiso 1 1 calc R U . . .
C36 C 0.4232(2) -0.1536(5) 0.21963(19) 0.0323(13) Uani 1 1 d . . . . .
H36A H 0.4532 -0.2073 0.2222 0.039 Uiso 1 1 calc R U . . .
C37 C 0.4230(2) -0.0614(5) 0.24927(18) 0.0297(13) Uani 1 1 d . . . . .
H37A H 0.4535 -0.0517 0.2713 0.036 Uiso 1 1 calc R U . . .
C38 C 0.3778(2) 0.0164(5) 0.24639(18) 0.0295(12) Uani 1 1 d . . . . .
H38A H 0.3774 0.0770 0.2668 0.035 Uiso 1 1 calc R U . . .
C39 C 0.3332(2) 0.0036(5) 0.21299(17) 0.0273(12) Uani 1 1 d . . . . .
H39A H 0.3027 0.0556 0.2112 0.033 Uiso 1 1 calc R U . . .
C40 C 0.2913(2) 0.0387(5) 0.10412(17) 0.0227(11) Uani 1 1 d . . . . .
C41 C 0.2680(2) 0.0378(5) 0.06065(17) 0.0265(11) Uani 1 1 d . . . . .
H41A H 0.2436 -0.0246 0.0496 0.032 Uiso 1 1 calc R U . . .
C42 C 0.2810(2) 0.1285(5) 0.03403(18) 0.0306(13) Uani 1 1 d . . . . .
H42A H 0.2656 0.1266 0.0052 0.037 Uiso 1 1 calc R U . . .
C43 C 0.3169(3) 0.2226(5) 0.05032(19) 0.0322(13) Uani 1 1 d . . . . .
H43A H 0.3261 0.2830 0.0323 0.039 Uiso 1 1 calc R U . . .
C44 C 0.3390(3) 0.2265(6) 0.0930(2) 0.0365(14) Uani 1 1 d . . . . .
H44A H 0.3624 0.2907 0.1040 0.044 Uiso 1 1 calc R U . . .
C45 C 0.3265(3) 0.1345(5) 0.12027(18) 0.0313(13) Uani 1 1 d . . . . .
H45A H 0.3417 0.1374 0.1492 0.038 Uiso 1 1 calc R U . . .
C46 C 0.3866(6) -0.0596(11) 0.0035(4) 0.042(4) Uani 0.516(14) 1 d . . P A 2
H46A H 0.3720 0.0015 -0.0177 0.051 Uiso 0.516(14) 1 calc R U P A 2
H46B H 0.3552 -0.0992 0.0126 0.051 Uiso 0.516(14) 1 calc R U P A 2
C47 C 0.4668(5) -0.0464(11) 0.0056(4) 0.032(3) Uiso 0.484(14) 1 d . . P A 1
H47A H 0.4666 0.0122 -0.0173 0.038 Uiso 0.484(14) 1 calc R U P A 1
H47B H 0.5047 -0.0525 0.0214 0.038 Uiso 0.484(14) 1 calc R U P A 1
B1 B 0.1351(3) 0.2975(6) 0.0776(2) 0.0287(14) Uani 1 1 d . . . . .
Br1 Br 0.21929(2) -0.28558(5) 0.19864(2) 0.02484(12) Uani 1 1 d . . . . .
Cl1 Cl 0.4271(7) 0.0119(16) 0.0467(5) 0.045(2) Uani 0.516(14) 1 d . . P A 2
Cl2 Cl 0.4240(5) -0.1685(9) -0.0193(4) 0.057(2) Uani 0.516(14) 1 d . . P A 2
Cl3 Cl 0.4214(7) 0.0087(19) 0.0408(6) 0.059(4) Uani 0.484(14) 1 d . . P A 1
Cl4 Cl 0.4452(4) -0.1903(11) -0.0161(4) 0.058(2) Uani 0.484(14) 1 d . . P A 1
F1 F 0.17407(15) 0.3445(3) 0.05481(11) 0.0392(8) Uani 1 1 d . . . . .
F2 F 0.08880(15) 0.3735(3) 0.07129(11) 0.0367(8) Uani 1 1 d . . . . .
N1 N 0.16120(18) 0.2888(4) 0.12531(15) 0.0254(10) Uani 1 1 d . . . . .
N2 N 0.11953(19) 0.1659(4) 0.06276(14) 0.0237(9) Uani 1 1 d . . . . .
P1 P 0.27606(5) -0.09019(13) 0.13679(4) 0.0199(3) Uani 1 1 d . . . . .
P2 P 0.10865(5) -0.08212(13) 0.18487(4) 0.0202(3) Uani 1 1 d . . . . .
Pt1 Pt 0.19158(2) -0.08878(2) 0.15944(2) 0.01876(6) Uani 1 1 d . . . . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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_3
C6 C1 C2 118.4(5) .
C6 C1 Pt1 120.6(4) .
C2 C1 Pt1 120.7(4) .
N1 C2 C3 108.1(5) .
N1 C2 C1 121.8(5) .
C3 C2 C1 129.6(5) .
C4 C3 C2 106.9(5) .
C3 C4 C5 107.0(5) .
N1 C5 C4 109.9(5) .
N2 C6 C1 121.8(5) .
N2 C6 C7 107.9(5) .
C1 C6 C7 130.1(5) .
C8 C7 C6 106.7(5) .
C9 C8 C7 107.2(5) .
N2 C9 C8 110.3(5) .
C15 C10 C11 119.1(5) .
C15 C10 P2 119.5(4) .
C11 C10 P2 121.1(4) .
C12 C11 C10 120.7(5) .
C13 C12 C11 119.4(6) .
C14 C13 C12 120.5(5) .
C13 C14 C15 120.3(6) .
C10 C15 C14 120.1(6) .
C21 C16 C17 118.7(5) .
C21 C16 P2 120.4(4) .
C17 C16 P2 120.9(4) .
C18 C17 C16 120.4(5) .
C19 C18 C17 120.6(5) .
C18 C19 C20 119.1(5) .
C19 C20 C21 121.0(6) .
C16 C21 C20 120.2(5) .
C23 C22 C27 118.7(5) .
C23 C22 P2 120.7(4) .
C27 C22 P2 120.1(4) .
C22 C23 C24 120.8(5) .
C25 C24 C23 119.7(5) .
C24 C25 C26 120.4(6) .
C27 C26 C25 119.8(5) .
C26 C27 C22 120.6(5) .
C33 C28 C29 119.3(5) .
C33 C28 P1 121.9(4) .
C29 C28 P1 118.7(4) .
C30 C29 C28 119.6(5) .
C31 C30 C29 120.8(5) .
C32 C31 C30 119.2(6) .
C31 C32 C33 120.9(6) .
C32 C33 C28 120.2(5) .
C35 C34 C39 118.6(5) .
C35 C34 P1 123.2(4) .
C39 C34 P1 118.1(4) .
C34 C35 C36 120.6(5) .
C37 C36 C35 120.0(5) .
C36 C37 C38 120.3(5) .
C37 C38 C39 119.6(5) .
C38 C39 C34 120.8(5) .
C45 C40 C41 118.9(5) .
C45 C40 P1 122.8(4) .
C41 C40 P1 118.3(4) .
C42 C41 C40 120.7(5) .
C41 C42 C43 120.0(5) .
C44 C43 C42 120.0(5) .
C43 C44 C45 120.4(6) .
C40 C45 C44 120.0(5) .
Cl1 C46 Cl2 112.0(10) .
Cl4 C47 Cl3 111.4(9) .
Cl4 C47 C47 125.1(10) 5_655
Cl3 C47 C47 123.4(11) 5_655
F2 B1 F1 108.8(5) .
F2 B1 N2 111.4(5) .
F1 B1 N2 109.6(5) .
F2 B1 N1 110.8(5) .
F1 B1 N1 109.9(5) .
N2 B1 N1 106.3(4) .
C5 N1 C2 108.1(5) .
C5 N1 B1 127.2(5) .
C2 N1 B1 124.7(5) .
C9 N2 C6 107.9(5) .
C9 N2 B1 127.0(5) .
C6 N2 B1 124.9(4) .
C34 P1 C28 107.7(2) .
C34 P1 C40 103.3(2) .
C28 P1 C40 101.3(2) .
C34 P1 Pt1 110.81(17) .
C28 P1 Pt1 115.05(18) .
C40 P1 Pt1 117.51(17) .
C22 P2 C16 106.9(2) .
C22 P2 C10 101.1(2) .
C16 P2 C10 104.6(2) .
C22 P2 Pt1 114.34(18) .
C16 P2 Pt1 114.36(17) .
C10 P2 Pt1 114.30(17) .
C1 Pt1 P1 90.91(13) .
C1 Pt1 P2 89.11(13) .
P1 Pt1 P2 177.37(5) .
C1 Pt1 Br1 178.54(14) .
P1 Pt1 Br1 88.69(4) .
P2 Pt1 Br1 91.36(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.403(7) .
C1 C2 1.407(7) .
C1 Pt1 1.992(5) .
C2 N1 1.396(7) .
C2 C3 1.406(7) .
C3 C4 1.398(8) .
C4 C5 1.401(8) .
C5 N1 1.341(7) .
C6 N2 1.395(7) .
C6 C7 1.411(7) .
C7 C8 1.397(8) .
C8 C9 1.389(9) .
C9 N2 1.343(7) .
C10 C15 1.391(7) .
C10 C11 1.398(8) .
C10 P2 1.828(6) .
C11 C12 1.392(8) .
C12 C13 1.389(9) .
C13 C14 1.377(9) .
C14 C15 1.395(8) .
C16 C21 1.385(7) .
C16 C17 1.402(7) .
C16 P2 1.826(5) .
C17 C18 1.383(7) .
C18 C19 1.378(8) .
C19 C20 1.383(8) .
C20 C21 1.388(8) .
C22 C23 1.390(8) .
C22 C27 1.402(7) .
C22 P2 1.820(6) .
C23 C24 1.391(8) .
C24 C25 1.379(8) .
C25 C26 1.392(8) .
C26 C27 1.382(8) .
C28 C33 1.387(8) .
C28 C29 1.398(8) .
C28 P1 1.825(5) .
C29 C30 1.393(8) .
C30 C31 1.381(8) .
C31 C32 1.381(8) .
C32 C33 1.385(8) .
C34 C35 1.383(8) .
C34 C39 1.404(8) .
C34 P1 1.815(5) .
C35 C36 1.390(8) .
C36 C37 1.382(8) .
C37 C38 1.382(8) .
C38 C39 1.383(8) .
C40 C45 1.389(8) .
C40 C41 1.400(7) .
C40 P1 1.830(5) .
C41 C42 1.379(8) .
C42 C43 1.387(8) .
C43 C44 1.372(8) .
C44 C45 1.399(8) .
C46 Cl1 1.729(18) .
C46 Cl2 1.740(16) .
C47 Cl4 1.756(17) .
C47 Cl3 1.82(2) .
C47 C47 2.00(2) 5_655
B1 F2 1.385(7) .
B1 F1 1.399(7) .
B1 N2 1.536(8) .
B1 N1 1.544(8) .
Br1 Pt1 2.5134(5) .
P1 Pt1 2.3113(12) .
P2 Pt1 2.3207(12) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
C6 C1 C2 N1 -1.5(7)
Pt1 C1 C2 N1 -176.3(4)
C6 C1 C2 C3 170.0(5)
Pt1 C1 C2 C3 -4.8(8)
N1 C2 C3 C4 0.2(6)
C1 C2 C3 C4 -172.2(5)
C2 C3 C4 C5 -0.2(7)
C3 C4 C5 N1 0.2(7)
C2 C1 C6 N2 0.3(7)
Pt1 C1 C6 N2 175.1(4)
C2 C1 C6 C7 -173.3(5)
Pt1 C1 C6 C7 1.5(8)
N2 C6 C7 C8 -0.5(6)
C1 C6 C7 C8 173.8(5)
C6 C7 C8 C9 0.7(7)
C7 C8 C9 N2 -0.7(7)
C15 C10 C11 C12 0.8(8)
P2 C10 C11 C12 173.7(4)
C10 C11 C12 C13 -0.4(9)
C11 C12 C13 C14 0.7(9)
C12 C13 C14 C15 -1.5(9)
C11 C10 C15 C14 -1.5(8)
P2 C10 C15 C14 -174.6(4)
C13 C14 C15 C10 1.9(9)
C21 C16 C17 C18 -1.9(8)
P2 C16 C17 C18 177.4(4)
C16 C17 C18 C19 1.7(8)
C17 C18 C19 C20 -0.3(9)
C18 C19 C20 C21 -0.7(10)
C17 C16 C21 C20 0.9(9)
P2 C16 C21 C20 -178.4(5)
C19 C20 C21 C16 0.4(10)
C27 C22 C23 C24 0.4(8)
P2 C22 C23 C24 -171.5(4)
C22 C23 C24 C25 0.6(8)
C23 C24 C25 C26 -1.0(9)
C24 C25 C26 C27 0.4(9)
C25 C26 C27 C22 0.6(9)
C23 C22 C27 C26 -0.9(8)
P2 C22 C27 C26 171.0(4)
C33 C28 C29 C30 0.0(8)
P1 C28 C29 C30 -177.5(4)
C28 C29 C30 C31 -0.1(9)
C29 C30 C31 C32 -0.5(9)
C30 C31 C32 C33 1.1(10)
C31 C32 C33 C28 -1.3(10)
C29 C28 C33 C32 0.7(9)
P1 C28 C33 C32 178.1(5)
C39 C34 C35 C36 -1.5(8)
P1 C34 C35 C36 175.4(4)
C34 C35 C36 C37 -0.4(9)
C35 C36 C37 C38 2.0(9)
C36 C37 C38 C39 -1.6(9)
C37 C38 C39 C34 -0.4(9)
C35 C34 C39 C38 2.0(8)
P1 C34 C39 C38 -175.1(4)
C45 C40 C41 C42 1.8(8)
P1 C40 C41 C42 -175.8(4)
C40 C41 C42 C43 -0.6(9)
C41 C42 C43 C44 -1.0(9)
C42 C43 C44 C45 1.5(9)
C41 C40 C45 C44 -1.3(8)
P1 C40 C45 C44 176.2(5)
C43 C44 C45 C40 -0.4(9)
C4 C5 N1 C2 0.0(6)
C4 C5 N1 B1 -179.8(5)
C3 C2 N1 C5 -0.1(6)
C1 C2 N1 C5 173.0(5)
C3 C2 N1 B1 179.6(5)
C1 C2 N1 B1 -7.2(8)
F2 B1 N1 C5 -44.6(8)
F1 B1 N1 C5 75.7(7)
N2 B1 N1 C5 -165.8(5)
F2 B1 N1 C2 135.7(5)
F1 B1 N1 C2 -104.0(6)
N2 B1 N1 C2 14.4(7)
C8 C9 N2 C6 0.4(7)
C8 C9 N2 B1 175.7(5)
C1 C6 N2 C9 -174.8(5)
C7 C6 N2 C9 0.1(6)
C1 C6 N2 B1 9.8(8)
C7 C6 N2 B1 -175.3(5)
F2 B1 N2 C9 48.9(8)
F1 B1 N2 C9 -71.6(7)
N1 B1 N2 C9 169.7(5)
F2 B1 N2 C6 -136.6(5)
F1 B1 N2 C6 102.9(6)
N1 B1 N2 C6 -15.7(7)
C35 C34 P1 C28 5.2(5)
C39 C34 P1 C28 -177.9(4)
C35 C34 P1 C40 -101.5(5)
C39 C34 P1 C40 75.5(5)
C35 C34 P1 Pt1 131.8(4)
C39 C34 P1 Pt1 -51.2(5)
C33 C28 P1 C34 117.2(5)
C29 C28 P1 C34 -65.3(5)
C33 C28 P1 C40 -134.7(5)
C29 C28 P1 C40 42.7(5)
C33 C28 P1 Pt1 -6.9(5)
C29 C28 P1 Pt1 170.5(4)
C45 C40 P1 C34 -20.3(5)
C41 C40 P1 C34 157.2(4)
C45 C40 P1 C28 -131.8(5)
C41 C40 P1 C28 45.7(5)
C45 C40 P1 Pt1 102.0(5)
C41 C40 P1 Pt1 -80.5(4)
C23 C22 P2 C16 -147.0(4)
C27 C22 P2 C16 41.2(5)
C23 C22 P2 C10 103.9(4)
C27 C22 P2 C10 -67.9(5)
C23 C22 P2 Pt1 -19.4(5)
C27 C22 P2 Pt1 168.8(4)
C21 C16 P2 C22 101.0(5)
C17 C16 P2 C22 -78.3(5)
C21 C16 P2 C10 -152.4(5)
C17 C16 P2 C10 28.3(5)
C21 C16 P2 Pt1 -26.6(5)
C17 C16 P2 Pt1 154.1(4)
C15 C10 P2 C22 -33.1(5)
C11 C10 P2 C22 153.9(5)
C15 C10 P2 C16 -144.0(4)
C11 C10 P2 C16 43.0(5)
C15 C10 P2 Pt1 90.2(4)
C11 C10 P2 Pt1 -82.8(4)
