#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:56:43 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179085 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/47/4304746.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_4304746
loop_
_publ_author_name
'Kwun-Chi Hwang'
'Jing-Lin Chen'
'Yun Chi'
'Chun-Wei Lin'
'Yi-Ming Cheng'
'Gene-Hsiang Lee'
'Pi-Tai Chou'
'Sue-Yi Lin'
'Ching-Fong Shu'
_publ_section_title
;
Luminescent Osmium(II) Complexes with Functionalized 2-Phenylpyridine
Chelating Ligands: Preparation, Structural Analyses, and Photophysical
Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3307
_journal_page_last               3317
_journal_paper_doi               10.1021/ic7023132
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C24 H12 F4 N2 O2 Os'
_chemical_formula_weight         626.56
_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                75.002(1)
_cell_angle_beta                 71.845(1)
_cell_angle_gamma                83.594(1)
_cell_formula_units_Z            4
_cell_length_a                   10.8459(5)
_cell_length_b                   13.1773(6)
_cell_length_c                   15.3928(7)
_cell_measurement_reflns_used    9212
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.39
_cell_volume                     2018.06(16)
_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      150(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  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            26873
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    6.381
_exptl_absorpt_correction_T_max  0.4478
_exptl_absorpt_correction_T_min  0.2984
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.062
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.241
_refine_diff_density_min         -0.693
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         9222
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0246
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0184P)²+0.8785P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0518
_refine_ls_wR_factor_ref         0.0544
_reflns_number_gt                8079
_reflns_number_total             9222
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7023132-file002.cif
_cod_data_source_block           ic12156
_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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4304746
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
Os1 Os 0.228383(12) 0.290975(10) 0.053860(9) 0.01581(4) Uani 1 1 d . . .
O1 O -0.0441(3) 0.2727(2) 0.05068(19) 0.0294(6) Uani 1 1 d . . .
O2 O 0.1355(3) 0.4268(2) 0.1939(2) 0.0353(7) Uani 1 1 d . . .
N1 N 0.4296(3) 0.3121(2) 0.0333(2) 0.0187(6) Uani 1 1 d . . .
N2 N 0.3028(3) 0.1843(2) -0.0362(2) 0.0189(6) Uani 1 1 d . . .
C1 C 0.0587(4) 0.2788(3) 0.0540(2) 0.0197(7) Uani 1 1 d . . .
C2 C 0.1704(3) 0.3748(3) 0.1400(3) 0.0212(8) Uani 1 1 d . . .
C3 C 0.4977(4) 0.2525(3) 0.0883(3) 0.0224(8) Uani 1 1 d . . .
H3A H 0.4533 0.2026 0.1428 0.027 Uiso 1 1 calc R . .
C4 C 0.6297(4) 0.2608(3) 0.0689(3) 0.0268(9) Uani 1 1 d . . .
H4A H 0.6755 0.2176 0.1092 0.032 Uiso 1 1 calc R . .
C5 C 0.6932(4) 0.3329(3) -0.0101(3) 0.0299(9) Uani 1 1 d . . .
H5A H 0.7841 0.3402 -0.0252 0.036 Uiso 1 1 calc R . .
C6 C 0.6242(4) 0.3947(3) -0.0673(3) 0.0261(8) Uani 1 1 d . . .
H6A H 0.6681 0.4435 -0.1228 0.031 Uiso 1 1 calc R . .
C7 C 0.4907(3) 0.3857(3) -0.0440(2) 0.0185(7) Uani 1 1 d . . .
C8 C 0.4040(3) 0.4507(3) -0.0947(2) 0.0186(7) Uani 1 1 d . . .
C9 C 0.4411(3) 0.5371(3) -0.1699(3) 0.0218(8) Uani 1 1 d . . .
C10 C 0.3568(4) 0.5976(3) -0.2142(2) 0.0225(8) Uani 1 1 d . . .
H10A H 0.3849 0.6557 -0.2661 0.027 Uiso 1 1 calc R . .
C11 C 0.2297(4) 0.5693(3) -0.1791(3) 0.0216(8) Uani 1 1 d . . .
C12 C 0.1851(3) 0.4868(3) -0.1038(2) 0.0196(7) Uani 1 1 d . . .
H12A H 0.0954 0.4720 -0.0814 0.024 Uiso 1 1 calc R . .
C13 C 0.2714(3) 0.4248(3) -0.0602(2) 0.0192(7) Uani 1 1 d . . .
C14 C 0.3410(3) 0.2147(3) -0.1310(3) 0.0221(8) Uani 1 1 d . . .
H14A H 0.3328 0.2870 -0.1601 0.027 Uiso 1 1 calc R . .
C15 C 0.3913(4) 0.1453(3) -0.1870(3) 0.0291(9) Uani 1 1 d . . .
H15A H 0.4184 0.1695 -0.2536 0.035 Uiso 1 1 calc R . .
C16 C 0.4018(4) 0.0405(3) -0.1455(3) 0.0363(10) Uani 1 1 d . . .
H16A H 0.4355 -0.0090 -0.1829 0.044 Uiso 1 1 calc R . .
C17 C 0.3629(4) 0.0080(3) -0.0486(3) 0.0324(9) Uani 1 1 d . . .
H17A H 0.3694 -0.0645 -0.0194 0.039 Uiso 1 1 calc R . .
C18 C 0.3143(4) 0.0802(3) 0.0068(3) 0.0226(8) Uani 1 1 d . . .
C19 C 0.2708(4) 0.0568(3) 0.1093(3) 0.0217(8) Uani 1 1 d . . .
C20 C 0.2697(4) -0.0424(3) 0.1688(3) 0.0350(10) Uani 1 1 d . . .
C21 C 0.2304(5) -0.0615(3) 0.2647(3) 0.0410(11) Uani 1 1 d . . .
H21A H 0.2311 -0.1304 0.3035 0.049 Uiso 1 1 calc R . .
C22 C 0.1897(5) 0.0248(3) 0.3017(3) 0.0352(10) Uani 1 1 d . . .
C23 C 0.1869(4) 0.1250(3) 0.2485(3) 0.0265(8) Uani 1 1 d . . .
H23A H 0.1580 0.1817 0.2783 0.032 Uiso 1 1 calc R . .
C24 C 0.2262(3) 0.1445(3) 0.1509(2) 0.0192(7) Uani 1 1 d . . .
F1 F 0.5661(2) 0.56795(17) -0.20307(15) 0.0291(5) Uani 1 1 d . . .
F2 F 0.1426(2) 0.62686(16) -0.22174(15) 0.0289(5) Uani 1 1 d . . .
F3 F 0.3094(3) -0.12895(17) 0.13267(17) 0.0510(8) Uani 1 1 d . . .
F4 F 0.1507(3) 0.00918(18) 0.39769(16) 0.0542(8) Uani 1 1 d . . .
Os2 Os 0.318922(13) 0.227713(10) 0.513711(9) 0.01634(4) Uani 1 1 d . . .
O3 O 0.4532(3) 0.1564(2) 0.33514(19) 0.0324(6) Uani 1 1 d . . .
O4 O 0.5655(3) 0.2015(2) 0.56984(19) 0.0319(6) Uani 1 1 d . . .
N3 N 0.2043(3) 0.2628(2) 0.6443(2) 0.0184(6) Uani 1 1 d . . .
N4 N 0.1399(3) 0.2659(2) 0.47885(19) 0.0173(6) Uani 1 1 d . . .
C25 C 0.4032(3) 0.1844(3) 0.4031(2) 0.0195(7) Uani 1 1 d . . .
C26 C 0.4725(4) 0.2108(3) 0.5475(2) 0.0216(8) Uani 1 1 d . . .
C27 C 0.1858(4) 0.3608(3) 0.6587(3) 0.0225(8) Uani 1 1 d . . .
H27A H 0.2319 0.4163 0.6107 0.027 Uiso 1 1 calc R . .
C28 C 0.1035(4) 0.3839(3) 0.7395(3) 0.0271(9) Uani 1 1 d . . .
H28A H 0.0931 0.4536 0.7477 0.033 Uiso 1 1 calc R . .
C29 C 0.0362(4) 0.3028(3) 0.8084(3) 0.0318(9) Uani 1 1 d . . .
H29A H -0.0232 0.3166 0.8646 0.038 Uiso 1 1 calc R . .
C30 C 0.0553(4) 0.2024(3) 0.7958(3) 0.0318(9) Uani 1 1 d . . .
H30A H 0.0100 0.1464 0.8437 0.038 Uiso 1 1 calc R . .
C31 C 0.1409(3) 0.1822(3) 0.7129(2) 0.0219(8) Uani 1 1 d . . .
C32 C 0.1732(3) 0.0785(3) 0.6910(2) 0.0210(7) Uani 1 1 d . . .
C33 C 0.1319(4) -0.0168(3) 0.7534(3) 0.0277(9) Uani 1 1 d . . .
C34 C 0.1672(4) -0.1114(3) 0.7316(3) 0.0277(9) Uani 1 1 d . . .
H34A H 0.1368 -0.1754 0.7754 0.033 Uiso 1 1 calc R . .
C35 C 0.2494(4) -0.1096(3) 0.6427(3) 0.0236(8) Uani 1 1 d . . .
C36 C 0.2945(3) -0.0191(3) 0.5767(2) 0.0210(7) Uani 1 1 d . . .
H36A H 0.3501 -0.0224 0.5160 0.025 Uiso 1 1 calc R . .
C37 C 0.2576(3) 0.0780(3) 0.5996(2) 0.0181(7) Uani 1 1 d . . .
C38 C 0.0464(4) 0.1957(3) 0.4999(2) 0.0227(8) Uani 1 1 d . . .
H38A H 0.0631 0.1241 0.5271 0.027 Uiso 1 1 calc R . .
C39 C -0.0711(4) 0.2242(3) 0.4835(3) 0.0281(9) Uani 1 1 d . . .
H39A H -0.1343 0.1731 0.4981 0.034 Uiso 1 1 calc R . .
C40 C -0.0962(4) 0.3284(3) 0.4453(3) 0.0299(9) Uani 1 1 d . . .
H40A H -0.1775 0.3503 0.4342 0.036 Uiso 1 1 calc R . .
C41 C -0.0022(4) 0.4002(3) 0.4236(3) 0.0279(9) Uani 1 1 d . . .
H41A H -0.0193 0.4722 0.3980 0.033 Uiso 1 1 calc R . .
C42 C 0.1176(3) 0.3689(3) 0.4386(2) 0.0199(7) Uani 1 1 d . . .
C43 C 0.2277(3) 0.4364(3) 0.4153(2) 0.0197(7) Uani 1 1 d . . .
C44 C 0.2329(4) 0.5413(3) 0.3661(3) 0.0260(8) Uani 1 1 d . . .
C45 C 0.3394(4) 0.6019(3) 0.3415(3) 0.0284(9) Uani 1 1 d . . .
H45A H 0.3408 0.6731 0.3072 0.034 Uiso 1 1 calc R . .
C46 C 0.4432(4) 0.5527(3) 0.3696(3) 0.0249(8) Uani 1 1 d . . .
C47 C 0.4455(4) 0.4505(3) 0.4192(2) 0.0219(8) Uani 1 1 d . . .
H47A H 0.5204 0.4216 0.4374 0.026 Uiso 1 1 calc R . .
C48 C 0.3372(3) 0.3882(3) 0.4431(2) 0.0195(7) Uani 1 1 d . . .
F5 F 0.0523(3) -0.01894(18) 0.84164(16) 0.0456(7) Uani 1 1 d . . .
F6 F 0.2883(2) -0.20390(15) 0.61968(15) 0.0296(5) Uani 1 1 d . . .
F7 F 0.1289(2) 0.59054(17) 0.33898(18) 0.0398(6) Uani 1 1 d . . .
F8 F 0.5518(2) 0.60946(17) 0.34400(16) 0.0329(5) 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'
O O 0.0106 0.0060 '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'
Os Os -1.2165 7.6030 '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
C2 Os1 C1 90.80(15) . . ?
C2 Os1 C24 97.96(14) . . ?
C1 Os1 C24 92.42(14) . . ?
C2 Os1 C13 91.45(14) . . ?
C1 Os1 C13 96.35(14) . . ?
C24 Os1 C13 167.04(14) . . ?
C2 Os1 N1 93.83(13) . . ?
C1 Os1 N1 172.23(13) . . ?
C24 Os1 N1 93.13(12) . . ?
C13 Os1 N1 77.30(12) . . ?
C3 N1 C7 119.7(3) . . ?
C3 N1 Os1 123.5(2) . . ?
C7 N1 Os1 116.6(2) . . ?
C14 N2 C18 119.3(3) . . ?
O1 C1 Os1 177.5(3) . . ?
O2 C2 Os1 179.3(3) . . ?
N1 C3 C4 122.6(4) . . ?
C5 C4 C3 118.4(3) . . ?
C4 C5 C6 119.6(4) . . ?
C5 C6 C7 120.3(4) . . ?
N1 C7 C6 119.4(3) . . ?
N1 C7 C8 114.4(3) . . ?
C6 C7 C8 126.2(3) . . ?
C9 C8 C13 118.5(3) . . ?
C9 C8 C7 125.1(3) . . ?
C13 C8 C7 116.4(3) . . ?
F1 C9 C10 115.6(3) . . ?
F1 C9 C8 120.8(3) . . ?
C10 C9 C8 123.5(3) . . ?
C9 C10 C11 116.1(3) . . ?
F2 C11 C12 118.2(3) . . ?
F2 C11 C10 118.1(3) . . ?
C12 C11 C10 123.7(3) . . ?
C11 C12 C13 119.8(3) . . ?
C12 C13 C8 118.3(3) . . ?
C12 C13 Os1 127.2(3) . . ?
C8 C13 Os1 114.6(2) . . ?
N2 C14 C15 122.6(3) . . ?
C14 C15 C16 119.0(4) . . ?
C15 C16 C17 119.1(4) . . ?
C16 C17 C18 120.8(4) . . ?
N2 C18 C17 119.1(3) . . ?
N2 C18 C19 114.4(3) . . ?
C17 C18 C19 126.4(3) . . ?
C20 C19 C24 118.1(3) . . ?
C20 C19 C18 125.5(3) . . ?
C24 C19 C18 116.3(3) . . ?
F3 C20 C21 115.6(3) . . ?
F3 C20 C19 120.4(4) . . ?
C21 C20 C19 124.0(4) . . ?
C20 C21 C22 116.0(4) . . ?
C23 C22 F4 118.4(4) . . ?
C23 C22 C21 123.8(4) . . ?
F4 C22 C21 117.8(3) . . ?
C22 C23 C24 120.3(4) . . ?
C23 C24 C19 117.7(3) . . ?
C23 C24 Os1 127.4(3) . . ?
C19 C24 Os1 114.8(2) . . ?
C25 Os2 C26 91.31(15) . . ?
C25 Os2 C48 92.31(14) . . ?
C26 Os2 C48 97.31(14) . . ?
C25 Os2 C37 97.11(14) . . ?
C26 Os2 C37 91.34(14) . . ?
C48 Os2 C37 167.06(13) . . ?
C25 Os2 N3 172.72(13) . . ?
C26 Os2 N3 93.20(13) . . ?
C48 Os2 N3 92.79(12) . . ?
C37 Os2 N3 77.07(12) . . ?
C25 Os2 N4 93.43(13) . . ?
C26 Os2 N4 172.87(13) . . ?
C48 Os2 N4 77.19(12) . . ?
C37 Os2 N4 93.35(12) . . ?
N3 Os2 N4 82.64(10) . . ?
C27 N3 C31 119.3(3) . . ?
C27 N3 Os2 123.3(2) . . ?
C31 N3 Os2 117.2(2) . . ?
C38 N4 C42 119.3(3) . . ?
C38 N4 Os2 123.8(2) . . ?
C42 N4 Os2 116.8(2) . . ?
O3 C25 Os2 178.6(3) . . ?
O4 C26 Os2 178.5(3) . . ?
N3 C27 C28 122.9(4) . . ?
C27 C28 C29 118.1(4) . . ?
C30 C29 C28 119.8(4) . . ?
C29 C30 C31 120.2(4) . . ?
N3 C31 C30 119.7(3) . . ?
N3 C31 C32 114.4(3) . . ?
C30 C31 C32 126.0(3) . . ?
C33 C32 C37 118.9(3) . . ?
C33 C32 C31 125.1(3) . . ?
C37 C32 C31 115.9(3) . . ?
C34 C33 F5 116.2(3) . . ?
C34 C33 C32 123.5(4) . . ?
F5 C33 C32 120.3(3) . . ?
C33 C34 C35 116.4(3) . . ?
F6 C35 C34 117.5(3) . . ?
F6 C35 C36 118.6(3) . . ?
C34 C35 C36 123.9(3) . . ?
C35 C36 C37 119.4(3) . . ?
C36 C37 C32 118.0(3) . . ?
C36 C37 Os2 127.0(3) . . ?
C32 C37 Os2 115.0(2) . . ?
N4 C38 C39 122.5(3) . . ?
C38 C39 C40 118.8(4) . . ?
C41 C40 C39 119.2(3) . . ?
C40 C41 C42 120.8(3) . . ?
N4 C42 C41 119.3(3) . . ?
N4 C42 C43 114.3(3) . . ?
C41 C42 C43 126.4(3) . . ?
C44 C43 C48 118.9(3) . . ?
C44 C43 C42 124.9(3) . . ?
C48 C43 C42 116.2(3) . . ?
F7 C44 C45 115.6(3) . . ?
F7 C44 C43 120.5(3) . . ?
C45 C44 C43 123.9(3) . . ?
C46 C45 C44 115.6(3) . . ?
F8 C46 C47 118.6(3) . . ?
F8 C46 C45 117.2(3) . . ?
C47 C46 C45 124.2(3) . . ?
C46 C47 C48 120.2(3) . . ?
C47 C48 C43 117.2(3) . . ?
C47 C48 Os2 127.6(3) . . ?
C43 C48 Os2 115.1(2) . . ?
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
Os1 C2 1.859(4) . ?
Os1 C1 1.864(4) . ?
Os1 C24 2.110(3) . ?
Os1 C13 2.116(3) . ?
Os1 N1 2.145(3) . ?
O1 C1 1.145(4) . ?
O2 C2 1.158(4) . ?
N1 C3 1.339(4) . ?
N1 C7 1.361(4) . ?
N2 C14 1.349(4) . ?
N2 C18 1.371(4) . ?
C3 C4 1.379(5) . ?
C4 C5 1.371(6) . ?
C5 C6 1.379(5) . ?
C6 C7 1.390(5) . ?
C7 C8 1.469(5) . ?
C8 C9 1.388(5) . ?
C8 C13 1.416(5) . ?
C9 F1 1.359(4) . ?
C9 C10 1.372(5) . ?
C10 C11 1.370(5) . ?
C11 F2 1.366(4) . ?
C11 C12 1.370(5) . ?
C12 C13 1.390(5) . ?
C14 C15 1.371(5) . ?
C15 C16 1.372(5) . ?
C16 C17 1.379(6) . ?
C17 C18 1.392(5) . ?
C18 C19 1.458(5) . ?
C19 C20 1.387(5) . ?
C19 C24 1.430(5) . ?
C20 F3 1.365(4) . ?
C20 C21 1.366(6) . ?
C21 C22 1.371(6) . ?
C22 C23 1.364(5) . ?
C22 F4 1.370(4) . ?
C23 C24 1.390(5) . ?
Os2 C25 1.865(4) . ?
Os2 C26 1.869(4) . ?
Os2 C48 2.112(3) . ?
Os2 C37 2.116(3) . ?
Os2 N3 2.144(3) . ?
Os2 N4 2.145(3) . ?
O3 C25 1.152(4) . ?
O4 C26 1.147(4) . ?
N3 C27 1.348(4) . ?
N3 C31 1.359(4) . ?
N4 C38 1.356(4) . ?
N4 C42 1.367(4) . ?
C27 C28 1.371(5) . ?
C28 C29 1.380(6) . ?
C29 C30 1.371(5) . ?
C30 C31 1.394(5) . ?
C31 C32 1.470(5) . ?
C32 C33 1.390(5) . ?
C32 C37 1.421(5) . ?
C33 C34 1.358(5) . ?
C33 F5 1.358(4) . ?
C34 C35 1.378(5) . ?
C35 F6 1.365(4) . ?
C35 C36 1.374(5) . ?
C36 C37 1.397(5) . ?
C38 C39 1.370(5) . ?
C39 C40 1.379(5) . ?
C40 C41 1.373(5) . ?
C41 C42 1.389(5) . ?
C42 C43 1.466(5) . ?
C43 C44 1.391(5) . ?
C43 C48 1.416(5) . ?
C44 F7 1.362(4) . ?
C44 C45 1.376(5) . ?
C45 C46 1.367(5) . ?
C46 F8 1.363(4) . ?
C46 C47 1.367(5) . ?
C47 C48 1.407(5) . ?
