#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:43:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179125 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/87/4308773.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_4308773
loop_
_publ_author_name
'Fu-Ming Hwang'
'Hsing-Yi Chen'
'Po-Shen Chen'
'Chao-Shiuan Liu'
'Yun Chi'
'Ching-Fong Shu'
'Fang-Iy Wu'
'Pi-Tai Chou'
'Shie-Ming Peng'
'Gene-Hsiang Lee'
_publ_section_title
;
Iridium(III) Complexes with Orthometalated Quinoxaline Ligands: Subtle
Tuning of Emission to the Saturated Red Color
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1344
_journal_page_last               1353
_journal_paper_doi               10.1021/ic0489443
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C50 H33 Cl2 F3 Ir N7'
_chemical_formula_weight         1051.93
_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                100.4154(8)
_cell_angle_beta                 92.6985(9)
_cell_angle_gamma                114.9504(8)
_cell_formula_units_Z            2
_cell_length_a                   11.1500(5)
_cell_length_b                   12.5173(5)
_cell_length_c                   17.0626(7)
_cell_measurement_reflns_used    5475
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      24.66
_cell_measurement_theta_min      2.22
_cell_volume                     2103.16(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_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      295(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'BRUKER SMART ApexCCD area detector'
_diffrn_measurement_method       '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  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0362
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            34839
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.23
_exptl_absorpt_coefficient_mu    3.361
_exptl_absorpt_correction_T_max  0.6885
_exptl_absorpt_correction_T_min  0.3859
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.375
_refine_diff_density_min         -0.955
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         9651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0304
_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)+(0.0378P)²+1.5636P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0724
_refine_ls_wR_factor_ref         0.0767
_reflns_number_gt                8762
_reflns_number_total             9651
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0489443si20040803_063003.cif
_cod_data_source_block           ic10148
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_cell_volume        2103.15(15)
_cod_database_code               4308773
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
Ir Ir 0.049824(11) 0.057417(11) 0.259877(7) 0.03227(5) Uani 1 1 d . . .
N1 N 0.1870(3) 0.1097(3) 0.16945(18) 0.0376(6) Uani 1 1 d . . .
N2 N -0.0410(3) -0.0861(3) 0.15625(18) 0.0375(6) Uani 1 1 d . . .
N3 N -0.1537(3) -0.1907(3) 0.14130(19) 0.0419(7) Uani 1 1 d . . .
N4 N 0.1842(3) 0.0058(3) 0.30835(17) 0.0360(6) Uani 1 1 d . . .
N5 N 0.3996(3) -0.0304(3) 0.3660(2) 0.0499(8) Uani 1 1 d . . .
N6 N -0.0913(3) 0.1104(3) 0.22240(18) 0.0358(6) Uani 1 1 d . . .
N7 N -0.3159(3) 0.1168(3) 0.1473(2) 0.0462(7) Uani 1 1 d . . .
F1 F -0.2865(4) -0.3929(3) -0.0473(2) 0.1098(13) Uani 1 1 d . . .
F2 F -0.2300(4) -0.4564(3) 0.0441(3) 0.1387(19) Uani 1 1 d . . .
F3 F -0.3741(3) -0.3912(3) 0.0569(3) 0.1182(15) Uani 1 1 d . . .
C1 C 0.3058(4) 0.2074(3) 0.1802(2) 0.0455(8) Uani 1 1 d . . .
H1A H 0.3314 0.2647 0.2285 0.055 Uiso 1 1 calc R . .
C2 C 0.3908(4) 0.2263(4) 0.1232(3) 0.0567(11) Uani 1 1 d . . .
H2A H 0.4722 0.2948 0.1332 0.068 Uiso 1 1 calc R . .
C3 C 0.3553(5) 0.1439(5) 0.0516(3) 0.0642(12) Uani 1 1 d . . .
H3A H 0.4118 0.1553 0.0124 0.077 Uiso 1 1 calc R . .
C4 C 0.2337(4) 0.0436(4) 0.0388(3) 0.0560(10) Uani 1 1 d . . .
H4A H 0.2068 -0.0132 -0.0097 0.067 Uiso 1 1 calc R . .
C5 C 0.1513(4) 0.0275(3) 0.0988(2) 0.0402(8) Uani 1 1 d . . .
C6 C 0.0264(4) -0.0782(3) 0.0922(2) 0.0403(8) Uani 1 1 d . . .
C7 C -0.0434(4) -0.1819(4) 0.0328(2) 0.0513(10) Uani 1 1 d . . .
H7A H -0.0215 -0.2021 -0.0179 0.062 Uiso 1 1 calc R . .
C8 C -0.1536(4) -0.2480(3) 0.0667(2) 0.0473(9) Uani 1 1 d . . .
C9 C -0.2606(5) -0.3708(4) 0.0329(3) 0.0611(12) Uani 1 1 d . . .
C10 C 0.1565(3) 0.2021(3) 0.3479(2) 0.0374(7) Uani 1 1 d . . .
C11 C 0.1234(4) 0.2949(4) 0.3821(3) 0.0499(9) Uani 1 1 d . . .
H11A H 0.0429 0.2932 0.3631 0.060 Uiso 1 1 calc R . .
C12 C 0.2085(4) 0.3891(4) 0.4438(3) 0.0600(12) Uani 1 1 d . . .
H12A H 0.1844 0.4496 0.4657 0.072 Uiso 1 1 calc R . .
C13 C 0.3285(4) 0.3944(4) 0.4731(3) 0.0548(11) Uani 1 1 d . . .
H13A H 0.3844 0.4581 0.5149 0.066 Uiso 1 1 calc R . .
C14 C 0.3663(4) 0.3062(3) 0.4411(2) 0.0436(8) Uani 1 1 d . . .
H14A H 0.4478 0.3105 0.4607 0.052 Uiso 1 1 calc R . .
C15 C 0.2806(3) 0.2093(3) 0.3783(2) 0.0365(7) Uani 1 1 d . . .
C16 C 0.2964(3) 0.0993(3) 0.3509(2) 0.0369(7) Uani 1 1 d . . .
C17 C 0.4108(4) 0.0784(4) 0.3704(2) 0.0432(8) Uani 1 1 d . . .
C18 C 0.5498(4) 0.1756(4) 0.3908(3) 0.0494(9) Uani 1 1 d . . .
C19 C 0.5986(5) 0.2638(5) 0.3476(3) 0.0717(14) Uani 1 1 d . . .
H19A H 0.5415 0.2698 0.3089 0.086 Uiso 1 1 calc R . .
C20 C 0.7331(5) 0.3440(6) 0.3615(4) 0.0892(18) Uani 1 1 d . . .
H20A H 0.7654 0.4026 0.3314 0.107 Uiso 1 1 calc R . .
C21 C 0.8184(5) 0.3387(5) 0.4182(4) 0.0826(18) Uani 1 1 d . . .
H21A H 0.9082 0.3936 0.4272 0.099 Uiso 1 1 calc R . .
C22 C 0.7713(5) 0.2525(6) 0.4617(4) 0.0814(17) Uani 1 1 d . . .
H22A H 0.8292 0.2482 0.5007 0.098 Uiso 1 1 calc R . .
C23 C 0.6375(4) 0.1708(4) 0.4483(3) 0.0639(12) Uani 1 1 d . . .
H23A H 0.6065 0.1120 0.4785 0.077 Uiso 1 1 calc R . .
C24 C 0.1709(4) -0.1107(3) 0.3032(2) 0.0404(8) Uani 1 1 d . . .
C25 C 0.0503(4) -0.2132(3) 0.2711(3) 0.0477(9) Uani 1 1 d . . .
H25A H -0.0219 -0.2048 0.2486 0.057 Uiso 1 1 calc R . .
C26 C 0.0401(5) -0.3251(4) 0.2732(3) 0.0600(11) Uani 1 1 d . . .
H26A H -0.0406 -0.3925 0.2529 0.072 Uiso 1 1 calc R . .
C27 C 0.1473(5) -0.3413(4) 0.3049(3) 0.0651(12) Uani 1 1 d . . .
H27A H 0.1383 -0.4186 0.3047 0.078 Uiso 1 1 calc R . .
C28 C 0.2647(5) -0.2434(4) 0.3360(3) 0.0595(11) Uani 1 1 d . . .
H28A H 0.3364 -0.2540 0.3571 0.071 Uiso 1 1 calc R . .
C29 C 0.2789(4) -0.1264(4) 0.3366(3) 0.0487(9) Uani 1 1 d . . .
C30 C -0.0913(3) -0.0156(3) 0.3272(2) 0.0351(7) Uani 1 1 d . . .
C31 C -0.0817(4) -0.0592(4) 0.3958(2) 0.0447(8) Uani 1 1 d . . .
H31A H -0.0003 -0.0550 0.4157 0.054 Uiso 1 1 calc R . .
C32 C -0.1915(4) -0.1084(4) 0.4345(2) 0.0530(10) Uani 1 1 d . . .
H32A H -0.1833 -0.1372 0.4801 0.064 Uiso 1 1 calc R . .
C33 C -0.3147(4) -0.1157(4) 0.4061(3) 0.0539(10) Uani 1 1 d . . .
H33A H -0.3876 -0.1475 0.4333 0.065 Uiso 1 1 calc R . .
C34 C -0.3281(4) -0.0759(3) 0.3382(2) 0.0448(8) Uani 1 1 d . . .
H34A H -0.4106 -0.0823 0.3185 0.054 Uiso 1 1 calc R . .
C35 C -0.2173(3) -0.0256(3) 0.2984(2) 0.0362(7) Uani 1 1 d . . .
C36 C -0.2150(3) 0.0363(3) 0.2338(2) 0.0370(7) Uani 1 1 d . . .
C37 C -0.3281(3) 0.0317(3) 0.1858(2) 0.0386(8) Uani 1 1 d . . .
C38 C -0.4595(3) -0.0762(3) 0.1679(2) 0.0408(8) Uani 1 1 d . . .
C39 C -0.4657(4) -0.1905(4) 0.1523(3) 0.0506(9) Uani 1 1 d . . .
H39A H -0.3879 -0.1999 0.1601 0.061 Uiso 1 1 calc R . .
C40 C -0.5868(4) -0.2917(4) 0.1252(3) 0.0606(11) Uani 1 1 d . . .
H40A H -0.5900 -0.3685 0.1144 0.073 Uiso 1 1 calc R . .
C41 C -0.7017(4) -0.2777(4) 0.1145(3) 0.0614(12) Uani 1 1 d . . .
H41A H -0.7828 -0.3453 0.0960 0.074 Uiso 1 1 calc R . .
C42 C -0.6977(4) -0.1654(4) 0.1309(3) 0.0607(12) Uani 1 1 d . . .
H42A H -0.7762 -0.1568 0.1245 0.073 Uiso 1 1 calc R . .
C43 C -0.5766(4) -0.0638(4) 0.1571(3) 0.0503(9) Uani 1 1 d . . .
H43A H -0.5741 0.0127 0.1675 0.060 Uiso 1 1 calc R . .
C44 C -0.0763(4) 0.2031(3) 0.1848(2) 0.0385(7) Uani 1 1 d . . .
C45 C 0.0501(4) 0.2970(3) 0.1843(2) 0.0447(8) Uani 1 1 d . . .
H45A H 0.1268 0.2937 0.2051 0.054 Uiso 1 1 calc R . .
C46 C 0.0601(4) 0.3935(3) 0.1531(3) 0.0511(10) Uani 1 1 d . . .
H46A H 0.1439 0.4567 0.1547 0.061 Uiso 1 1 calc R . .
C47 C -0.0526(5) 0.3988(4) 0.1192(3) 0.0611(12) Uani 1 1 d . . .
H47A H -0.0437 0.4644 0.0976 0.073 Uiso 1 1 calc R . .
C48 C -0.1769(5) 0.3069(4) 0.1175(3) 0.0580(11) Uani 1 1 d . . .
H48A H -0.2521 0.3096 0.0938 0.070 Uiso 1 1 calc R . .
C49 C -0.1908(4) 0.2088(3) 0.1518(2) 0.0443(8) Uani 1 1 d . . .
C50 C 0.4022(13) 0.3918(12) 0.7270(8) 0.191(5) Uiso 1 1 d . . .
H50A H 0.3428 0.3293 0.6819 0.229 Uiso 1 1 calc R . .
H50B H 0.4079 0.3521 0.7699 0.229 Uiso 1 1 calc R . .
Cl1 Cl 0.3343(3) 0.4766(3) 0.7567(3) 0.2284(19) Uani 1 1 d . . .
Cl2 Cl 0.5635(4) 0.4568(3) 0.6971(2) 0.1777(12) 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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 '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
C30 Ir C10 93.18(14) . . ?
C30 Ir N4 95.85(13) . . ?
C10 Ir N4 78.97(13) . . ?
C30 Ir N6 79.30(13) . . ?
C10 Ir N6 98.16(13) . . ?
N4 Ir N6 174.28(11) . . ?
C30 Ir N2 95.06(12) . . ?
C10 Ir N2 171.74(12) . . ?
N4 Ir N2 99.63(11) . . ?
N6 Ir N2 83.91(11) . . ?
C30 Ir N1 170.21(12) . . ?
C10 Ir N1 96.58(12) . . ?
N4 Ir N1 85.38(11) . . ?
N6 Ir N1 99.92(11) . . ?
N2 Ir N1 75.17(11) . . ?
C1 N1 C5 117.7(3) . . ?
C1 N1 Ir 127.0(3) . . ?
C5 N1 Ir 115.0(2) . . ?
N3 N2 C6 110.5(3) . . ?
N3 N2 Ir 132.7(2) . . ?
C6 N2 Ir 116.7(2) . . ?
C8 N3 N2 105.2(3) . . ?
C16 N4 C24 118.4(3) . . ?
C16 N4 Ir 113.9(2) . . ?
C24 N4 Ir 127.7(2) . . ?
C17 N5 C29 118.9(3) . . ?
C36 N6 C44 118.3(3) . . ?
C36 N6 Ir 112.1(2) . . ?
C44 N6 Ir 129.4(2) . . ?
C37 N7 C49 117.7(3) . . ?
N1 C1 C2 122.9(4) . . ?
C3 C2 C1 119.7(4) . . ?
C2 C3 C4 118.5(4) . . ?
C3 C4 C5 119.8(4) . . ?
N1 C5 C4 121.3(4) . . ?
N1 C5 C6 115.3(3) . . ?
C4 C5 C6 123.3(4) . . ?
N2 C6 C7 108.6(3) . . ?
N2 C6 C5 117.7(3) . . ?
C7 C6 C5 133.7(4) . . ?
C8 C7 C6 103.4(3) . . ?
N3 C8 C7 112.3(3) . . ?
N3 C8 C9 119.5(4) . . ?
C7 C8 C9 128.2(4) . . ?
F3 C9 F2 108.3(5) . . ?
F3 C9 F1 104.2(4) . . ?
F2 C9 F1 102.8(4) . . ?
F3 C9 C8 114.7(4) . . ?
F2 C9 C8 113.8(4) . . ?
F1 C9 C8 112.0(4) . . ?
C11 C10 C15 117.5(3) . . ?
C11 C10 Ir 128.2(3) . . ?
C15 C10 Ir 114.3(2) . . ?
C12 C11 C10 121.1(4) . . ?
C13 C12 C11 120.8(4) . . ?
C14 C13 C12 120.4(4) . . ?
C13 C14 C15 119.5(4) . . ?
C14 C15 C10 120.7(3) . . ?
C14 C15 C16 124.3(3) . . ?
C10 C15 C16 113.9(3) . . ?
N4 C16 C17 118.7(3) . . ?
N4 C16 C15 113.6(3) . . ?
C17 C16 C15 127.3(3) . . ?
N5 C17 C16 121.4(3) . . ?
N5 C17 C18 114.8(3) . . ?
C16 C17 C18 123.7(3) . . ?
C19 C18 C23 118.2(4) . . ?
C19 C18 C17 121.5(4) . . ?
C23 C18 C17 119.9(4) . . ?
C18 C19 C20 120.0(5) . . ?
C21 C20 C19 121.4(6) . . ?
C20 C21 C22 119.2(5) . . ?
C21 C22 C23 120.5(5) . . ?
C18 C23 C22 120.8(5) . . ?
N4 C24 C25 122.2(3) . . ?
N4 C24 C29 118.8(3) . . ?
C25 C24 C29 118.9(3) . . ?
C26 C25 C24 119.5(4) . . ?
C25 C26 C27 121.8(4) . . ?
C28 C27 C26 119.6(4) . . ?
C27 C28 C29 120.5(4) . . ?
N5 C29 C28 119.0(4) . . ?
N5 C29 C24 121.4(4) . . ?
C28 C29 C24 119.6(4) . . ?
C31 C30 C35 117.8(3) . . ?
C31 C30 Ir 128.8(3) . . ?
C35 C30 Ir 113.4(2) . . ?
C32 C31 C30 120.7(3) . . ?
C31 C32 C33 120.8(4) . . ?
C34 C33 C32 119.9(4) . . ?
C33 C34 C35 119.8(4) . . ?
C34 C35 C30 120.9(3) . . ?
C34 C35 C36 124.2(3) . . ?
C30 C35 C36 114.2(3) . . ?
N6 C36 C37 118.6(3) . . ?
N6 C36 C35 113.9(3) . . ?
C37 C36 C35 127.4(3) . . ?
N7 C37 C36 121.5(3) . . ?
N7 C37 C38 115.7(3) . . ?
C36 C37 C38 122.3(3) . . ?
C39 C38 C43 118.9(4) . . ?
C39 C38 C37 120.2(3) . . ?
C43 C38 C37 120.5(3) . . ?
C38 C39 C40 120.8(4) . . ?
C41 C40 C39 119.6(4) . . ?
C42 C41 C40 120.5(4) . . ?
C41 C42 C43 120.1(4) . . ?
C38 C43 C42 120.2(4) . . ?
N6 C44 C45 121.5(3) . . ?
N6 C44 C49 119.1(3) . . ?
C45 C44 C49 119.2(3) . . ?
C46 C45 C44 119.8(4) . . ?
C45 C46 C47 121.2(4) . . ?
C48 C47 C46 120.0(4) . . ?
C47 C48 C49 120.1(4) . . ?
N7 C49 C44 121.5(3) . . ?
N7 C49 C48 118.8(4) . . ?
C44 C49 C48 119.6(4) . . ?
Cl1 C50 Cl2 118.6(8) . . ?
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
Ir C30 1.992(3) . ?
Ir C10 1.996(3) . ?
Ir N4 2.059(3) . ?
Ir N6 2.064(3) . ?
Ir N2 2.128(3) . ?
Ir N1 2.211(3) . ?
N1 C1 1.347(5) . ?
N1 C5 1.353(5) . ?
N2 N3 1.349(4) . ?
N2 C6 1.350(5) . ?
N3 C8 1.343(5) . ?
N4 C16 1.354(4) . ?
N4 C24 1.388(5) . ?
N5 C17 1.302(5) . ?
N5 C29 1.363(5) . ?
N6 C36 1.346(4) . ?
N6 C44 1.379(4) . ?
N7 C37 1.314(5) . ?
N7 C49 1.371(5) . ?
F1 C9 1.338(6) . ?
F2 C9 1.296(6) . ?
F3 C9 1.285(6) . ?
C1 C2 1.372(6) . ?
C2 C3 1.366(7) . ?
C3 C4 1.378(6) . ?
C4 C5 1.393(5) . ?
C5 C6 1.442(5) . ?
C6 C7 1.384(5) . ?
C7 C8 1.384(6) . ?
C8 C9 1.478(6) . ?
C10 C11 1.401(5) . ?
C10 C15 1.415(5) . ?
C11 C12 1.382(6) . ?
C12 C13 1.377(6) . ?
C13 C14 1.375(6) . ?
C14 C15 1.410(5) . ?
C15 C16 1.457(5) . ?
C16 C17 1.443(5) . ?
C17 C18 1.486(5) . ?
C18 C19 1.373(7) . ?
C18 C23 1.380(6) . ?
C19 C20 1.387(7) . ?
C20 C21 1.354(9) . ?
C21 C22 1.356(9) . ?
C22 C23 1.386(7) . ?
C24 C25 1.406(5) . ?
C24 C29 1.410(5) . ?
C25 C26 1.363(6) . ?
C26 C27 1.394(6) . ?
C27 C28 1.358(6) . ?
C28 C29 1.404(6) . ?
C30 C31 1.396(5) . ?
C30 C35 1.413(5) . ?
C31 C32 1.378(5) . ?
C32 C33 1.395(6) . ?
C33 C34 1.366(6) . ?
C34 C35 1.400(5) . ?
C35 C36 1.453(5) . ?
C36 C37 1.445(5) . ?
C37 C38 1.484(5) . ?
C38 C39 1.378(6) . ?
C38 C43 1.386(5) . ?
C39 C40 1.389(6) . ?
C40 C41 1.372(6) . ?
C41 C42 1.365(7) . ?
C42 C43 1.389(6) . ?
C44 C45 1.406(5) . ?
C44 C49 1.406(5) . ?
C45 C46 1.371(5) . ?
C46 C47 1.390(6) . ?
C47 C48 1.373(6) . ?
C48 C49 1.408(5) . ?
C50 Cl1 1.574(12) . ?
C50 Cl2 1.777(12) . ?
