#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:10:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179716 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/18/7001847.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_7001847
loop_
_publ_author_name
'Hung, Jui-Yi'
'Chi, Yun'
'Pai, I-Hsuan'
'Yu, Ya-Chien'
'Lee, Gene-Hsiang'
'Chou, Pi-Tai'
'Wong, Ken-Tsung'
'Chen, Chung-Chia'
'Wu, Chung-Chih'
_publ_section_title
;
 Blue-emitting Ir(iii) phosphors with ancillary 4,6-difluorobenzyl
 diphenylphosphine based cyclometalate
;
_journal_issue                   33
_journal_name_full               'Dalton Transactions'
_journal_page_first              6472
_journal_page_last               6475
_journal_paper_doi               10.1039/b912691k
_journal_year                    2009
_chemical_formula_moiety         'C41 H27 Cl F6 Ir N2 P'
_chemical_formula_sum            'C41 H27 Cl F6 Ir N2 P'
_chemical_formula_weight         920.27
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 107.152(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.6365(14)
_cell_length_b                   11.3201(5)
_cell_length_c                   18.1593(7)
_cell_measurement_reflns_used    6325
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.98
_cell_measurement_theta_min      2.35
_cell_volume                     6803.4(5)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0490
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25603
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.23
_exptl_absorpt_coefficient_mu    4.118
_exptl_absorpt_correction_T_max  0.8206
_exptl_absorpt_correction_T_min  0.4140
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3600
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.886
_refine_diff_density_min         -1.306
_refine_diff_density_rms         0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         7813
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.127
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0406P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0885
_reflns_number_gt                6675
_reflns_number_total             7813
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b912691k.txt
_cod_data_source_block           complex2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      C2/c
_cod_database_code               7001847
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
Ir Ir 0.162762(5) 0.513649(14) 0.294740(9) 0.01643(6) Uani 1 1 d . . .
Cl1 Cl 0.22690(3) 0.48045(9) 0.39848(6) 0.0201(2) Uani 1 1 d . . .
P1 P 0.11968(3) 0.43779(10) 0.35697(6) 0.0174(2) Uani 1 1 d . . .
N1 N 0.19803(11) 0.5819(3) 0.2283(2) 0.0189(8) Uani 1 1 d . . .
N2 N 0.15637(11) 0.6852(3) 0.3363(2) 0.0212(8) Uani 1 1 d . . .
C1 C 0.17117(13) 0.3642(4) 0.2387(2) 0.0187(9) Uani 1 1 d . . .
C2 C 0.15896(14) 0.2484(4) 0.2456(2) 0.0216(10) Uani 1 1 d . . .
H2 H 0.1428 0.2320 0.2785 0.026 Uiso 1 1 calc R . .
C3 C 0.16997(16) 0.1579(4) 0.2058(3) 0.0273(11) Uani 1 1 d . . .
C4 C 0.19298(15) 0.1729(4) 0.1556(3) 0.0271(11) Uani 1 1 d . . .
H4 H 0.2006 0.1090 0.1290 0.032 Uiso 1 1 calc R . .
C5 C 0.20395(15) 0.2881(5) 0.1476(3) 0.0263(11) Uani 1 1 d . . .
C6 C 0.19397(13) 0.3841(4) 0.1852(2) 0.0201(9) Uani 1 1 d . . .
C7 C 0.20701(14) 0.5050(4) 0.1785(3) 0.0233(10) Uani 1 1 d . . .
C8 C 0.22641(15) 0.5462(5) 0.1259(3) 0.0306(11) Uani 1 1 d . . .
H8 H 0.2322 0.4933 0.0900 0.037 Uiso 1 1 calc R . .
C9 C 0.23702(15) 0.6634(5) 0.1264(3) 0.0305(12) Uani 1 1 d . . .
H9 H 0.2500 0.6918 0.0906 0.037 Uiso 1 1 calc R . .
C10 C 0.22874(14) 0.7393(4) 0.1789(3) 0.0270(11) Uani 1 1 d . . .
H10 H 0.2365 0.8200 0.1807 0.032 Uiso 1 1 calc R . .
C11 C 0.20891(14) 0.6959(4) 0.2288(3) 0.0235(10) Uani 1 1 d . . .
H11 H 0.2027 0.7483 0.2646 0.028 Uiso 1 1 calc R . .
C12 C 0.11408(13) 0.5707(4) 0.2120(2) 0.0199(9) Uani 1 1 d . . .
C13 C 0.09288(14) 0.5077(4) 0.1459(3) 0.0238(10) Uani 1 1 d . . .
H13 H 0.1012 0.4301 0.1376 0.029 Uiso 1 1 calc R . .
C14 C 0.06028(15) 0.5580(5) 0.0933(3) 0.0279(11) Uani 1 1 d . . .
C15 C 0.04600(15) 0.6681(5) 0.1021(3) 0.0329(12) Uani 1 1 d . . .
H15 H 0.0229 0.7005 0.0654 0.039 Uiso 1 1 calc R . .
C16 C 0.06711(16) 0.7301(5) 0.1676(3) 0.0312(12) Uani 1 1 d . . .
C17 C 0.10141(14) 0.6870(4) 0.2220(3) 0.0224(10) Uani 1 1 d . . .
C18 C 0.12605(15) 0.7514(4) 0.2896(3) 0.0243(10) Uani 1 1 d . . .
C19 C 0.12187(16) 0.8691(5) 0.3067(3) 0.0334(12) Uani 1 1 d . . .
H19 H 0.1010 0.9155 0.2735 0.040 Uiso 1 1 calc R . .
C20 C 0.14795(17) 0.9195(5) 0.3721(3) 0.0356(13) Uani 1 1 d . . .
H20 H 0.1449 0.9998 0.3845 0.043 Uiso 1 1 calc R . .
C21 C 0.17832(16) 0.8515(4) 0.4189(3) 0.0320(12) Uani 1 1 d . . .
H21 H 0.1967 0.8842 0.4639 0.038 Uiso 1 1 calc R . .
C22 C 0.18156(15) 0.7353(4) 0.3992(3) 0.0261(11) Uani 1 1 d . . .
H22 H 0.2026 0.6886 0.4315 0.031 Uiso 1 1 calc R . .
C23 C 0.07425(13) 0.3676(4) 0.2909(2) 0.0213(10) Uani 1 1 d . . .
H23A H 0.0571 0.4311 0.2605 0.026 Uiso 1 1 calc R . .
H23B H 0.0832 0.3178 0.2542 0.026 Uiso 1 1 calc R . .
C24 C 0.04817(14) 0.2925(4) 0.3256(2) 0.0222(10) Uani 1 1 d . . .
C25 C 0.05179(17) 0.1719(4) 0.3280(3) 0.0329(12) Uani 1 1 d . . .
C26 C 0.0295(2) 0.0971(5) 0.3585(4) 0.0466(15) Uani 1 1 d . . .
H26 H 0.0331 0.0139 0.3590 0.056 Uiso 1 1 calc R . .
C27 C 0.00129(18) 0.1496(5) 0.3886(3) 0.0415(14) Uani 1 1 d . . .
C28 C -0.00431(16) 0.2675(5) 0.3886(3) 0.0324(12) Uani 1 1 d . . .
H28 H -0.0239 0.3008 0.4096 0.039 Uiso 1 1 calc R . .
C29 C 0.01926(14) 0.3390(5) 0.3570(3) 0.0268(11) Uani 1 1 d . . .
H29 H 0.0156 0.4222 0.3569 0.032 Uiso 1 1 calc R . .
C30 C 0.13723(14) 0.3273(4) 0.4323(2) 0.0201(9) Uani 1 1 d . . .
C31 C 0.11487(15) 0.3020(4) 0.4831(3) 0.0253(10) Uani 1 1 d . . .
H31 H 0.0920 0.3489 0.4826 0.030 Uiso 1 1 calc R . .
C32 C 0.12605(16) 0.2079(5) 0.5346(3) 0.0316(12) Uani 1 1 d . . .
H32 H 0.1108 0.1905 0.5691 0.038 Uiso 1 1 calc R . .
C33 C 0.15940(15) 0.1400(4) 0.5353(3) 0.0297(12) Uani 1 1 d . . .
H33 H 0.1667 0.0747 0.5694 0.036 Uiso 1 1 calc R . .
C34 C 0.18209(15) 0.1665(4) 0.4868(3) 0.0275(11) Uani 1 1 d . . .
H34 H 0.2054 0.1210 0.4887 0.033 Uiso 1 1 calc R . .
C35 C 0.17094(14) 0.2597(4) 0.4350(2) 0.0194(9) Uani 1 1 d . . .
H35 H 0.1866 0.2772 0.4013 0.023 Uiso 1 1 calc R . .
C36 C 0.09838(14) 0.5558(4) 0.4022(3) 0.0205(9) Uani 1 1 d . . .
C37 C 0.11973(15) 0.5955(4) 0.4754(3) 0.0265(11) Uani 1 1 d . . .
H37 H 0.1430 0.5539 0.5048 0.032 Uiso 1 1 calc R . .
C38 C 0.10711(17) 0.6955(5) 0.5056(3) 0.0321(12) Uani 1 1 d . . .
H38 H 0.1218 0.7211 0.5559 0.038 Uiso 1 1 calc R . .
C39 C 0.07425(17) 0.7578(4) 0.4652(3) 0.0346(13) Uani 1 1 d . . .
H39 H 0.0663 0.8271 0.4865 0.041 Uiso 1 1 calc R . .
C40 C 0.05224(16) 0.7191(4) 0.3920(3) 0.0320(12) Uani 1 1 d . . .
H40 H 0.0290 0.7615 0.3631 0.038 Uiso 1 1 calc R . .
C41 C 0.06439(14) 0.6182(4) 0.3614(3) 0.0233(10) Uani 1 1 d . . .
H41 H 0.0492 0.5915 0.3117 0.028 Uiso 1 1 calc R . .
F1 F 0.15827(11) 0.0459(3) 0.21550(19) 0.0410(8) Uani 1 1 d . . .
F2 F 0.22662(9) 0.3033(3) 0.09775(17) 0.0366(7) Uani 1 1 d . . .
F3 F 0.04074(9) 0.4972(3) 0.02912(18) 0.0384(8) Uani 1 1 d . . .
F4 F 0.05282(10) 0.8395(3) 0.17668(19) 0.0454(8) Uani 1 1 d . . .
F5 F 0.07902(11) 0.1220(3) 0.2974(2) 0.0539(10) Uani 1 1 d . . .
F6 F -0.02099(13) 0.0774(3) 0.4198(2) 0.0719(13) 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'
P P 0.1023 0.0942 '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
C12 Ir C1 96.06(18) . . ?
C12 Ir N1 87.40(16) . . ?
C1 Ir N1 79.98(16) . . ?
C12 Ir N2 79.57(17) . . ?
C1 Ir N2 169.66(15) . . ?
N1 Ir N2 90.41(14) . . ?
C12 Ir P1 87.93(12) . . ?
C1 Ir P1 98.33(13) . . ?
N1 Ir P1 174.83(10) . . ?
N2 Ir P1 90.91(10) . . ?
C12 Ir Cl1 169.78(14) . . ?
C1 Ir Cl1 91.46(12) . . ?
N1 Ir Cl1 87.11(10) . . ?
N2 Ir Cl1 91.86(11) . . ?
P1 Ir Cl1 97.85(4) . . ?
C30 P1 C36 104.7(2) . . ?
C30 P1 C23 102.9(2) . . ?
C36 P1 C23 103.0(2) . . ?
C30 P1 Ir 120.46(15) . . ?
C36 P1 Ir 110.80(15) . . ?
C23 P1 Ir 113.19(14) . . ?
C11 N1 C7 120.1(4) . . ?
C11 N1 Ir 124.0(3) . . ?
C7 N1 Ir 115.7(3) . . ?
C22 N2 C18 119.0(4) . . ?
C22 N2 Ir 125.5(3) . . ?
C18 N2 Ir 115.1(3) . . ?
C2 C1 C6 116.8(4) . . ?
C2 C1 Ir 130.0(3) . . ?
C6 C1 Ir 113.2(3) . . ?
C3 C2 C1 121.0(4) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
F1 C3 C2 119.3(4) . . ?
F1 C3 C4 116.8(4) . . ?
C2 C3 C4 123.9(4) . . ?
C5 C4 C3 114.6(4) . . ?
C5 C4 H4 122.7 . . ?
C3 C4 H4 122.7 . . ?
F2 C5 C4 114.7(4) . . ?
F2 C5 C6 120.2(4) . . ?
C4 C5 C6 125.1(4) . . ?
C5 C6 C1 118.5(4) . . ?
C5 C6 C7 124.7(4) . . ?
C1 C6 C7 116.7(4) . . ?
N1 C7 C8 119.5(4) . . ?
N1 C7 C6 114.1(4) . . ?
C8 C7 C6 126.3(4) . . ?
C9 C8 C7 119.9(5) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C10 C9 C8 119.8(5) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 118.6(5) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
N1 C11 C10 122.1(4) . . ?
N1 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C13 C12 C17 118.6(4) . . ?
C13 C12 Ir 126.1(3) . . ?
C17 C12 Ir 115.3(3) . . ?
C14 C13 C12 120.1(5) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
F3 C14 C15 117.3(4) . . ?
F3 C14 C13 119.4(5) . . ?
C15 C14 C13 123.3(5) . . ?
C14 C15 C16 116.3(5) . . ?
C14 C15 H15 121.9 . . ?
C16 C15 H15 121.9 . . ?
F4 C16 C15 116.4(5) . . ?
F4 C16 C17 119.8(5) . . ?
C15 C16 C17 123.8(5) . . ?
C16 C17 C12 117.8(4) . . ?
C16 C17 C18 125.8(4) . . ?
C12 C17 C18 116.3(4) . . ?
N2 C18 C19 120.1(5) . . ?
N2 C18 C17 113.5(4) . . ?
C19 C18 C17 126.3(5) . . ?
C20 C19 C18 120.2(5) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C21 C20 C19 119.1(5) . . ?
C21 C20 H20 120.5 . . ?
C19 C20 H20 120.5 . . ?
C20 C21 C22 118.6(5) . . ?
C20 C21 H21 120.7 . . ?
C22 C21 H21 120.7 . . ?
N2 C22 C21 122.9(5) . . ?
N2 C22 H22 118.5 . . ?
C21 C22 H22 118.5 . . ?
C24 C23 P1 118.0(3) . . ?
C24 C23 H23A 107.8 . . ?
P1 C23 H23A 107.8 . . ?
C24 C23 H23B 107.8 . . ?
P1 C23 H23B 107.8 . . ?
H23A C23 H23B 107.1 . . ?
C25 C24 C29 115.7(4) . . ?
C25 C24 C23 121.0(4) . . ?
C29 C24 C23 123.4(4) . . ?
F5 C25 C26 117.0(5) . . ?
F5 C25 C24 118.1(5) . . ?
C26 C25 C24 124.9(5) . . ?
C25 C26 C27 116.2(5) . . ?
C25 C26 H26 121.9 . . ?
C27 C26 H26 121.9 . . ?
C28 C27 F6 119.8(5) . . ?
C28 C27 C26 122.8(5) . . ?
F6 C27 C26 117.4(5) . . ?
C27 C28 C29 118.4(5) . . ?
C27 C28 H28 120.8 . . ?
C29 C28 H28 120.8 . . ?
C28 C29 C24 122.0(5) . . ?
C28 C29 H29 119.0 . . ?
C24 C29 H29 119.0 . . ?
C35 C30 C31 119.2(4) . . ?
C35 C30 P1 119.9(3) . . ?
C31 C30 P1 120.6(4) . . ?
C32 C31 C30 120.1(5) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C33 C32 C31 119.7(4) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C34 C33 C32 120.5(4) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 120.1(5) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C30 C35 C34 120.5(4) . . ?
C30 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C41 C36 C37 118.4(4) . . ?
C41 C36 P1 121.5(4) . . ?
C37 C36 P1 119.5(4) . . ?
C38 C37 C36 120.1(5) . . ?
C38 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C39 C38 C37 121.6(5) . . ?
C39 C38 H38 119.2 . . ?
C37 C38 H38 119.2 . . ?
C38 C39 C40 119.2(5) . . ?
C38 C39 H39 120.4 . . ?
C40 C39 H39 120.4 . . ?
C41 C40 C39 119.7(5) . . ?
C41 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
C36 C41 C40 121.0(5) . . ?
C36 C41 H41 119.5 . . ?
C40 C41 H41 119.5 . . ?
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 C12 2.005(4) . ?
Ir C1 2.039(4) . ?
Ir N1 2.100(3) . ?
Ir N2 2.118(4) . ?
Ir P1 2.2882(11) . ?
Ir Cl1 2.4814(11) . ?
P1 C30 1.820(4) . ?
P1 C36 1.833(5) . ?
P1 C23 1.853(4) . ?
N1 C11 1.344(6) . ?
N1 C7 1.356(6) . ?
N2 C22 1.341(6) . ?
N2 C18 1.363(6) . ?
C1 C2 1.393(6) . ?
C1 C6 1.439(6) . ?
C2 C3 1.372(6) . ?
C2 H2 0.9500 . ?
C3 F1 1.358(5) . ?
C3 C4 1.386(6) . ?
C4 C5 1.377(7) . ?
C4 H4 0.9500 . ?
C5 F2 1.372(5) . ?
C5 C6 1.381(6) . ?
C6 C7 1.458(6) . ?
C7 C8 1.399(7) . ?
C8 C9 1.376(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.374(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.379(6) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.403(6) . ?
C12 C17 1.417(6) . ?
C13 C14 1.369(7) . ?
C13 H13 0.9500 . ?
C14 F3 1.351(6) . ?
C14 C15 1.368(7) . ?
C15 C16 1.389(7) . ?
C15 H15 0.9500 . ?
C16 F4 1.362(6) . ?
C16 C17 1.390(7) . ?
C17 C18 1.466(7) . ?
C18 C19 1.386(7) . ?
C19 C20 1.385(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.376(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.377(7) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.507(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.370(7) . ?
C24 C29 1.394(6) . ?
C25 F5 1.351(6) . ?
C25 C26 1.369(7) . ?
C26 C27 1.386(8) . ?
C26 H26 0.9500 . ?
C27 C28 1.349(8) . ?
C27 F6 1.356(6) . ?
C28 C29 1.388(7) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C35 1.385(6) . ?
C30 C31 1.399(6) . ?
C31 C32 1.395(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.385(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.375(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.391(6) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C41 1.386(6) . ?
C36 C37 1.392(6) . ?
C37 C38 1.383(7) . ?
C37 H37 0.9500 . ?
C38 C39 1.356(8) . ?
C38 H38 0.9500 . ?
C39 C40 1.394(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.389(7) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
