#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:26:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179844 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/40/7014002.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_7014002
loop_
_publ_author_name
'Kwon, Heon Yong'
'Lee, Su Yeon'
'Lee, Bun Yeoul'
'Shin, Dong Mok'
'Chung, Young Keun'
_publ_section_title
;
 Synthesis, characterization and ethylene reactivity of
 2-diphenylphosphanylbenzamido nickel complexes.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              921
_journal_page_last               928
_journal_paper_doi               10.1039/b317033k
_journal_year                    2004
_chemical_formula_sum            'C50 H26 B F15 N Ni O P'
_chemical_formula_weight         1042.21
_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                 109.45(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.7580(10)
_cell_length_b                   12.0400(10)
_cell_length_c                   20.9810(10)
_cell_measurement_temperature    293(2)
_cell_volume                     8994(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0393
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            18092
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.37
_exptl_absorpt_coefficient_mu    0.569
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4192
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.252
_refine_diff_density_min         -0.348
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         10292
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0415P)²+8.7466P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1135
_reflns_number_gt                7109
_reflns_number_total             10292
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b317033k.txt
_cod_data_source_block           9
_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 
;
_cod_original_cell_volume        8993.8(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7014002
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
Ni1 Ni 0.129365(9) 0.00621(2) 0.112162(16) 0.04947(10) Uani 1 1 d . . .
P1 P 0.105894(17) 0.10131(5) 0.02400(3) 0.04479(15) Uani 1 1 d . . .
O1 O 0.11710(4) 0.28203(12) 0.22021(7) 0.0401(3) Uani 1 1 d . . .
N1 N 0.13087(5) 0.12572(15) 0.17440(9) 0.0413(4) Uani 1 1 d . . .
B1 B 0.12210(7) 0.4067(2) 0.23170(13) 0.0387(5) Uani 1 1 d . . .
F1 F 0.13671(4) 0.29170(12) 0.35893(7) 0.0557(4) Uani 1 1 d . . .
F2 F 0.19860(5) 0.29575(16) 0.46683(8) 0.0776(5) Uani 1 1 d . . .
F3 F 0.25629(4) 0.43408(19) 0.47097(8) 0.0915(6) Uani 1 1 d . . .
F4 F 0.25007(4) 0.56937(16) 0.36430(8) 0.0788(5) Uani 1 1 d . . .
F5 F 0.19014(4) 0.56235(12) 0.25452(7) 0.0584(4) Uani 1 1 d . . .
F6 F 0.06159(4) 0.28456(14) 0.27333(8) 0.0654(4) Uani 1 1 d . . .
F7 F 0.01666(5) 0.3774(2) 0.33017(9) 0.1036(7) Uani 1 1 d . . .
F8 F 0.01544(5) 0.6009(2) 0.34588(11) 0.1306(10) Uani 1 1 d . . .
F9 F 0.06368(6) 0.73041(18) 0.30665(12) 0.1170(8) Uani 1 1 d . . .
F10 F 0.11241(4) 0.63751(13) 0.25534(9) 0.0732(4) Uani 1 1 d . . .
F11 F 0.06649(4) 0.56291(13) 0.13087(8) 0.0620(4) Uani 1 1 d . . .
F12 F 0.07290(5) 0.63499(17) 0.01697(9) 0.0931(6) Uani 1 1 d . . .
F13 F 0.13370(6) 0.5815(2) -0.01861(10) 0.1131(8) Uani 1 1 d . . .
F14 F 0.18907(5) 0.45146(18) 0.06551(9) 0.0868(6) Uani 1 1 d . . .
F15 F 0.18153(4) 0.36816(13) 0.17731(7) 0.0581(4) Uani 1 1 d . . .
C1 C 0.11077(5) 0.21558(18) 0.16837(11) 0.0367(5) Uani 1 1 d . . .
C2 C 0.07866(6) 0.24340(18) 0.10518(11) 0.0382(5) Uani 1 1 d . . .
C3 C 0.07502(6) 0.20627(19) 0.03942(11) 0.0425(5) Uani 1 1 d . . .
C4 C 0.04539(7) 0.2461(2) -0.01487(12) 0.0544(6) Uani 1 1 d . . .
H4 H 0.0434 0.2233 -0.0583 0.065 Uiso 1 1 calc R . .
C5 C 0.01888(7) 0.3182(2) -0.00649(12) 0.0568(7) Uani 1 1 d . . .
H5 H -0.0003 0.3449 -0.0438 0.068 Uiso 1 1 calc R . .
C6 C 0.02126(6) 0.3499(2) 0.05749(12) 0.0518(6) Uani 1 1 d . . .
H6 H 0.0030 0.3958 0.0640 0.062 Uiso 1 1 calc R . .
C7 C 0.05080(6) 0.3137(2) 0.11237(12) 0.0447(5) Uani 1 1 d . . .
H7 H 0.0522 0.3368 0.1554 0.054 Uiso 1 1 calc R . .
C8 C 0.16176(6) 0.11340(19) 0.23773(12) 0.0452(5) Uani 1 1 d . . .
C9 C 0.19807(7) 0.1199(2) 0.23673(14) 0.0552(6) Uani 1 1 d . . .
H9 H 0.2025 0.1342 0.1965 0.066 Uiso 1 1 calc R . .
C10 C 0.22794(8) 0.1047(3) 0.29638(17) 0.0729(8) Uani 1 1 d . . .
H10 H 0.2524 0.1083 0.2958 0.087 Uiso 1 1 calc R . .
C11 C 0.22168(9) 0.0847(3) 0.35595(16) 0.0804(9) Uani 1 1 d . . .
H11 H 0.2418 0.0761 0.3958 0.097 Uiso 1 1 calc R . .
C12 C 0.18547(10) 0.0776(3) 0.35642(15) 0.0773(9) Uani 1 1 d . . .
H12 H 0.1811 0.0635 0.3968 0.093 Uiso 1 1 calc R . .
C13 C 0.15535(8) 0.0910(2) 0.29734(13) 0.0589(7) Uani 1 1 d . . .
H13 H 0.1309 0.0850 0.2979 0.071 Uiso 1 1 calc R . .
C14 C 0.15467(9) -0.1521(2) 0.12829(17) 0.0699(8) Uani 1 1 d . . .
C15 C 0.13915(10) -0.1510(2) 0.18063(19) 0.0800(9) Uani 1 1 d . . .
H15 H 0.1133 -0.1449 0.1703 0.096 Uiso 1 1 calc R . .
C16 C 0.16270(14) -0.1590(3) 0.2490(2) 0.0943(11) Uani 1 1 d . . .
H16 H 0.1524 -0.1600 0.2836 0.113 Uiso 1 1 calc R . .
C17 C 0.20014(16) -0.1652(3) 0.2633(3) 0.1104(14) Uani 1 1 d . . .
H17 H 0.2157 -0.1709 0.3081 0.132 Uiso 1 1 calc R . .
C18 C 0.21577(13) -0.1632(3) 0.2132(3) 0.1141(15) Uani 1 1 d . . .
H18 H 0.2417 -0.1665 0.2245 0.137 Uiso 1 1 calc R . .
C19 C 0.19428(11) -0.1566(3) 0.1480(2) 0.0934(11) Uani 1 1 d . . .
H19 H 0.2057 -0.1548 0.1149 0.112 Uiso 1 1 calc R . .
C20 C 0.13060(10) -0.1282(2) 0.06081(17) 0.0800(9) Uani 1 1 d . . .
H20A H 0.1074 -0.1702 0.0449 0.096 Uiso 1 1 calc R . .
H20B H 0.1429 -0.1214 0.0271 0.096 Uiso 1 1 calc R . .
C21 C 0.13903(6) 0.1735(2) -0.00768(11) 0.0451(5) Uani 1 1 d . . .
C22 C 0.13040(8) 0.2712(2) -0.04448(15) 0.0648(7) Uani 1 1 d . . .
H22 H 0.1073 0.3054 -0.0514 0.078 Uiso 1 1 calc R . .
C23 C 0.15588(8) 0.3183(3) -0.07097(15) 0.0734(8) Uani 1 1 d . . .
H23 H 0.1499 0.3842 -0.0954 0.088 Uiso 1 1 calc R . .
C24 C 0.18985(8) 0.2682(3) -0.06136(15) 0.0723(8) Uani 1 1 d . . .
H24 H 0.2067 0.2992 -0.0801 0.087 Uiso 1 1 calc R . .
C25 C 0.19896(8) 0.1732(3) -0.02448(18) 0.0787(9) Uani 1 1 d . . .
H25 H 0.2222 0.1400 -0.0176 0.094 Uiso 1 1 calc R . .
C26 C 0.17381(7) 0.1256(2) 0.00299(15) 0.0631(7) Uani 1 1 d . . .
H26 H 0.1804 0.0611 0.0287 0.076 Uiso 1 1 calc R . .
C27 C 0.07388(7) 0.0282(2) -0.04841(13) 0.0543(6) Uani 1 1 d . . .
C28 C 0.04346(9) -0.0253(3) -0.03901(16) 0.0780(9) Uani 1 1 d . . .
H28 H 0.0401 -0.0213 0.0029 0.094 Uiso 1 1 calc R . .
C29 C 0.01824(10) -0.0840(3) -0.0903(2) 0.0945(11) Uani 1 1 d . . .
H29 H -0.0022 -0.1185 -0.0835 0.113 Uiso 1 1 calc R . .
C30 C 0.02353(11) -0.0911(3) -0.1518(2) 0.1006(12) Uani 1 1 d . . .
H30 H 0.0068 -0.1317 -0.1866 0.121 Uiso 1 1 calc R . .
C31 C 0.05332(12) -0.0388(4) -0.16204(19) 0.1051(13) Uani 1 1 d . . .
H31 H 0.0565 -0.0431 -0.2041 0.126 Uiso 1 1 calc R . .
C32 C 0.07885(9) 0.0206(3) -0.11022(15) 0.0743(9) Uani 1 1 d . . .
H32 H 0.0993 0.0551 -0.1173 0.089 Uiso 1 1 calc R . .
C33 C 0.16091(6) 0.41965(19) 0.29816(11) 0.0412(5) Uani 1 1 d . . .
C34 C 0.16507(6) 0.3578(2) 0.35590(12) 0.0473(5) Uani 1 1 d . . .
C35 C 0.19641(7) 0.3604(2) 0.41348(13) 0.0570(6) Uani 1 1 d . . .
C36 C 0.22518(7) 0.4300(3) 0.41534(13) 0.0606(7) Uani 1 1 d . . .
C37 C 0.22237(6) 0.4967(2) 0.36160(14) 0.0567(7) Uani 1 1 d . . .
C38 C 0.19064(6) 0.4916(2) 0.30446(12) 0.0477(5) Uani 1 1 d . . .
C39 C 0.08934(6) 0.4570(2) 0.25990(11) 0.0432(5) Uani 1 1 d . . .
C40 C 0.06432(6) 0.3953(2) 0.28123(12) 0.0521(6) Uani 1 1 d . . .
C41 C 0.04026(7) 0.4434(3) 0.31095(14) 0.0706(9) Uani 1 1 d . . .
C42 C 0.03983(8) 0.5546(4) 0.31919(16) 0.0820(11) Uani 1 1 d . . .
C43 C 0.06379(9) 0.6195(3) 0.29945(16) 0.0763(9) Uani 1 1 d . . .
C44 C 0.08822(7) 0.5695(2) 0.27180(13) 0.0553(6) Uani 1 1 d . . .
C45 C 0.12429(6) 0.46391(19) 0.16207(11) 0.0418(5) Uani 1 1 d . . .
C46 C 0.09803(6) 0.5318(2) 0.11799(12) 0.0485(6) Uani 1 1 d . . .
C47 C 0.10045(8) 0.5709(2) 0.05806(14) 0.0637(7) Uani 1 1 d . . .
C48 C 0.13101(9) 0.5445(3) 0.04003(14) 0.0705(8) Uani 1 1 d . . .
C49 C 0.15830(7) 0.4775(3) 0.08151(14) 0.0609(7) Uani 1 1 d . . .
C50 C 0.15424(6) 0.4375(2) 0.13988(12) 0.0477(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'
B B 0.0013 0.0007 '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'
Ni Ni 0.3393 1.1124 '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'
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
N1 Ni1 C20 171.72(11) . . ?
N1 Ni1 P1 95.62(6) . . ?
C20 Ni1 P1 92.65(10) . . ?
N1 Ni1 C14 130.95(11) . . ?
C20 Ni1 C14 41.13(13) . . ?
P1 Ni1 C14 131.98(10) . . ?
N1 Ni1 C15 103.02(10) . . ?
C20 Ni1 C15 68.85(13) . . ?
P1 Ni1 C15 156.64(9) . . ?
C14 Ni1 C15 36.52(11) . . ?
C3 P1 C21 106.99(11) . . ?
C3 P1 C27 101.37(11) . . ?
C21 P1 C27 105.77(11) . . ?
C3 P1 Ni1 109.19(8) . . ?
C21 P1 Ni1 116.18(9) . . ?
C27 P1 Ni1 116.01(10) . . ?
C1 O1 B1 135.59(17) . . ?
C1 N1 C8 115.93(18) . . ?
C1 N1 Ni1 131.90(16) . . ?
C8 N1 Ni1 112.07(14) . . ?
O1 B1 C45 108.24(18) . . ?
O1 B1 C39 110.47(17) . . ?
C45 B1 C39 115.48(19) . . ?
O1 B1 C33 104.70(17) . . ?
C45 B1 C33 114.59(18) . . ?
C39 B1 C33 102.80(17) . . ?
N1 C1 O1 119.24(19) . . ?
N1 C1 C2 122.82(19) . . ?
O1 C1 C2 117.83(18) . . ?
C7 C2 C3 117.7(2) . . ?
C7 C2 C1 117.01(19) . . ?
C3 C2 C1 125.25(19) . . ?
C4 C3 C2 118.8(2) . . ?
C4 C3 P1 118.84(17) . . ?
C2 C3 P1 122.24(17) . . ?
C5 C4 C3 122.2(2) . . ?
C6 C5 C4 119.1(2) . . ?
C5 C6 C7 120.0(2) . . ?
C6 C7 C2 122.0(2) . . ?
C13 C8 C9 120.0(2) . . ?
C13 C8 N1 121.3(2) . . ?
C9 C8 N1 118.6(2) . . ?
C8 C9 C10 119.4(3) . . ?
C11 C10 C9 120.7(3) . . ?
C10 C11 C12 119.5(3) . . ?
C11 C12 C13 120.6(3) . . ?
C8 C13 C12 119.7(3) . . ?
C15 C14 C19 116.6(3) . . ?
C15 C14 C20 118.5(3) . . ?
C19 C14 C20 123.9(3) . . ?
C15 C14 Ni1 80.31(18) . . ?
C19 C14 Ni1 117.4(2) . . ?
C20 C14 Ni1 63.60(16) . . ?
C14 C15 C16 120.3(3) . . ?
C14 C15 Ni1 63.16(16) . . ?
C16 C15 Ni1 126.6(2) . . ?
C17 C16 C15 119.2(4) . . ?
C16 C17 C18 121.2(4) . . ?
C19 C18 C17 121.1(4) . . ?
C18 C19 C14 121.5(4) . . ?
C14 C20 Ni1 75.27(17) . . ?
C26 C21 C22 118.6(2) . . ?
C26 C21 P1 118.2(2) . . ?
C22 C21 P1 123.09(19) . . ?
C23 C22 C21 120.4(3) . . ?
C24 C23 C22 120.2(3) . . ?
C25 C24 C23 120.1(3) . . ?
C24 C25 C26 120.4(3) . . ?
C21 C26 C25 120.3(3) . . ?
C32 C27 C28 118.9(3) . . ?
C32 C27 P1 123.9(2) . . ?
C28 C27 P1 117.2(2) . . ?
C29 C28 C27 121.3(3) . . ?
C28 C29 C30 119.3(3) . . ?
C31 C30 C29 120.2(3) . . ?
C30 C31 C32 120.5(3) . . ?
C27 C32 C31 119.8(3) . . ?
C34 C33 C38 113.5(2) . . ?
C34 C33 B1 119.68(19) . . ?
C38 C33 B1 126.7(2) . . ?
F1 C34 C35 115.7(2) . . ?
F1 C34 C33 119.8(2) . . ?
C35 C34 C33 124.5(2) . . ?
F2 C35 C36 120.4(2) . . ?
F2 C35 C34 120.8(2) . . ?
C36 C35 C34 118.8(2) . . ?
F3 C36 C37 120.0(3) . . ?
F3 C36 C35 120.1(3) . . ?
C37 C36 C35 119.9(2) . . ?
F4 C37 C36 120.2(2) . . ?
F4 C37 C38 120.0(3) . . ?
C36 C37 C38 119.8(2) . . ?
F5 C38 C37 115.4(2) . . ?
F5 C38 C33 121.3(2) . . ?
C37 C38 C33 123.3(2) . . ?
C44 C39 C40 113.7(2) . . ?
C44 C39 B1 119.7(2) . . ?
C40 C39 B1 126.2(2) . . ?
F6 C40 C41 115.8(3) . . ?
F6 C40 C39 121.6(2) . . ?
C41 C40 C39 122.6(3) . . ?
C42 C41 F7 120.4(3) . . ?
C42 C41 C40 120.6(3) . . ?
F7 C41 C40 119.0(3) . . ?
F8 C42 C41 120.1(4) . . ?
F8 C42 C43 120.3(4) . . ?
C41 C42 C43 119.5(3) . . ?
F9 C43 C42 120.6(3) . . ?
F9 C43 C44 120.5(3) . . ?
C42 C43 C44 118.8(3) . . ?
F10 C44 C39 118.9(2) . . ?
F10 C44 C43 116.4(3) . . ?
C39 C44 C43 124.7(3) . . ?
C46 C45 C50 113.2(2) . . ?
C46 C45 B1 127.5(2) . . ?
C50 C45 B1 119.2(2) . . ?
F11 C46 C47 114.7(2) . . ?
F11 C46 C45 120.9(2) . . ?
C47 C46 C45 124.5(2) . . ?
F12 C47 C48 119.9(3) . . ?
F12 C47 C46 120.6(3) . . ?
C48 C47 C46 119.6(3) . . ?
F13 C48 C47 120.3(3) . . ?
F13 C48 C49 120.5(3) . . ?
C47 C48 C49 119.2(2) . . ?
F14 C49 C48 120.5(2) . . ?
F14 C49 C50 120.1(3) . . ?
C48 C49 C50 119.4(2) . . ?
F15 C50 C49 116.4(2) . . ?
F15 C50 C45 119.4(2) . . ?
C49 C50 C45 124.2(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
Ni1 N1 1.9311(18) . ?
Ni1 C20 1.953(3) . ?
Ni1 P1 2.1039(11) . ?
Ni1 C14 2.109(3) . ?
Ni1 C15 2.330(3) . ?
P1 C3 1.820(2) . ?
P1 C21 1.821(2) . ?
P1 C27 1.822(3) . ?
O1 C1 1.307(2) . ?
O1 B1 1.522(3) . ?
N1 C1 1.303(3) . ?
N1 C8 1.455(3) . ?
B1 C45 1.642(3) . ?
B1 C39 1.653(3) . ?
B1 C33 1.660(3) . ?
F1 C34 1.352(3) . ?
F2 C35 1.343(3) . ?
F3 C36 1.353(3) . ?
F4 C37 1.350(3) . ?
F5 C38 1.346(3) . ?
F6 C40 1.343(3) . ?
F7 C41 1.351(4) . ?
F8 C42 1.348(3) . ?
F9 C43 1.344(4) . ?
F10 C44 1.354(3) . ?
F11 C46 1.359(3) . ?
F12 C47 1.350(3) . ?
F13 C48 1.344(3) . ?
F14 C49 1.349(3) . ?
F15 C50 1.355(3) . ?
C1 C2 1.506(3) . ?
C2 C7 1.397(3) . ?
C2 C3 1.413(3) . ?
C3 C4 1.389(3) . ?
C4 C5 1.380(3) . ?
C5 C6 1.369(3) . ?
C6 C7 1.380(3) . ?
C8 C13 1.377(3) . ?
C8 C9 1.380(3) . ?
C9 C10 1.390(4) . ?
C10 C11 1.368(4) . ?
C11 C12 1.373(4) . ?
C12 C13 1.385(4) . ?
C14 C15 1.407(4) . ?
C14 C19 1.414(5) . ?
C14 C20 1.434(4) . ?
C15 C16 1.417(5) . ?
C16 C17 1.346(6) . ?
C17 C18 1.367(6) . ?
C18 C19 1.340(6) . ?
C21 C26 1.383(3) . ?
C21 C22 1.385(4) . ?
C22 C23 1.383(4) . ?
C23 C24 1.370(4) . ?
C24 C25 1.359(4) . ?
C25 C26 1.388(4) . ?
C27 C32 1.374(4) . ?
C27 C28 1.387(4) . ?
C28 C29 1.372(4) . ?
C29 C30 1.372(5) . ?
C30 C31 1.367(5) . ?
C31 C32 1.387(4) . ?
C33 C34 1.386(3) . ?
C33 C38 1.389(3) . ?
C34 C35 1.382(3) . ?
C35 C36 1.362(4) . ?
C36 C37 1.359(4) . ?
C37 C38 1.386(4) . ?
C39 C44 1.380(4) . ?
C39 C40 1.388(3) . ?
C40 C41 1.388(4) . ?
C41 C42 1.351(5) . ?
C42 C43 1.360(5) . ?
C43 C44 1.381(4) . ?
C45 C46 1.377(3) . ?
C45 C50 1.396(3) . ?
C46 C47 1.374(3) . ?
C47 C48 1.366(4) . ?
C48 C49 1.368(4) . ?
C49 C50 1.372(3) . ?
