#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:48:47 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179816 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/12/7011285.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_7011285
loop_
_publ_author_name
'Marianna I. Sladek'
'Thomas Braun'
'Beate Neumann'
'Hans-Georg Stammler'
_publ_section_title
;
 Aromatic C--F activation at Ni in the presence of a carbon--chlorine
 bond: the nickel mediated synthesis of new pyrimidines
;
_journal_issue                   3
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              297
_journal_page_last               299
_journal_year                    2002
_chemical_formula_moiety         'C16 H30 Cl F2 N2 Ni2 P2'
_chemical_formula_sum            'C16 H30 Cl F3 N2 Ni P2'
_chemical_formula_weight         463.52
_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                97.9150(5)
_cell_angle_beta                 96.7310(5)
_cell_angle_gamma                90.4950(4)
_cell_formula_units_Z            4
_cell_length_a                   11.87000(10)
_cell_length_b                   13.36900(10)
_cell_length_c                   14.1440(2)
_cell_measurement_reflns_used    14313
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      42.106
_cell_measurement_theta_min      2.037
_cell_volume                     2207.11(4)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL-PLUS (1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_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  0.033
_diffrn_reflns_av_sigmaI/netI    0.0285
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            89302
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    1.172
_exptl_absorpt_correction_T_max  0.8532
_exptl_absorpt_correction_T_min  0.7504
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhomb
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.928
_refine_diff_density_min         -0.494
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         12851
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0289
_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)+(0.0314P)²+0.7719P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0670
_refine_ls_wR_factor_ref         0.0710
_reflns_number_gt                10758
_reflns_number_total             12851
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b110128e-1.txt
_cod_data_source_block           compound1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

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_database_code               7011285
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
Ni1 Ni 0.086705(14) 0.276716(12) 0.261849(12) 0.01481(4) Uani 1 1 d . . .
Cl1 Cl 0.14047(3) 0.13710(3) 0.31801(3) 0.02289(7) Uani 1 1 d . . .
P1 P -0.07894(3) 0.25417(3) 0.31452(3) 0.01988(7) Uani 1 1 d . . .
P2 P 0.25592(3) 0.29037(3) 0.21268(2) 0.01618(7) Uani 1 1 d . . .
F1 F -0.06328(8) 0.30509(7) 0.07166(7) 0.0305(2) Uani 1 1 d . . .
F2 F -0.07105(9) 0.64200(8) 0.09780(9) 0.0430(3) Uani 1 1 d . . .
F3 F 0.12653(8) 0.50950(7) 0.33782(7) 0.0298(2) Uani 1 1 d . . .
N1 N -0.06845(11) 0.47321(10) 0.08312(10) 0.0268(3) Uani 1 1 d . . .
N2 N 0.02616(11) 0.57703(9) 0.21953(10) 0.0266(3) Uani 1 1 d . . .
C1 C 0.03784(11) 0.39410(10) 0.21070(10) 0.0170(2) Uani 1 1 d . . .
C2 C -0.02955(12) 0.39472(11) 0.12373(10) 0.0208(3) Uani 1 1 d . . .
C3 C -0.03574(13) 0.55924(12) 0.13571(13) 0.0281(3) Uani 1 1 d . . .
C4 C 0.06085(11) 0.49281(11) 0.25275(11) 0.0206(3) Uani 1 1 d . . .
C5 C -0.14233(13) 0.12848(12) 0.27248(13) 0.0311(4) Uani 1 1 d . . .
H5A H -0.1032 0.0792 0.3103 0.037 Uiso 1 1 calc R . .
H5B H -0.2230 0.1287 0.2840 0.037 Uiso 1 1 calc R . .
C6 C -0.13504(15) 0.09464(14) 0.16568(14) 0.0378(4) Uani 1 1 d . . .
H6A H -0.1744 0.1427 0.1278 0.057 Uiso 1 1 calc R . .
H6B H -0.1708 0.0274 0.1466 0.057 Uiso 1 1 calc R . .
H6C H -0.0552 0.0921 0.1542 0.057 Uiso 1 1 calc R . .
C7 C -0.06059(15) 0.26009(13) 0.44521(12) 0.0323(4) Uani 1 1 d . . .
H7A H -0.1358 0.2527 0.4676 0.039 Uiso 1 1 calc R . .
H7B H -0.0140 0.2029 0.4630 0.039 Uiso 1 1 calc R . .
C8 C -0.00378(19) 0.35864(15) 0.49563(13) 0.0447(5) Uani 1 1 d . . .
H8A H 0.0701 0.3670 0.4727 0.067 Uiso 1 1 calc R . .
H8B H 0.0070 0.3572 0.5652 0.067 Uiso 1 1 calc R . .
H8C H -0.0518 0.4152 0.4815 0.067 Uiso 1 1 calc R . .
C9 C -0.19276(12) 0.34211(12) 0.28812(13) 0.0286(3) Uani 1 1 d . . .
H9A H -0.1613 0.4118 0.3065 0.034 Uiso 1 1 calc R . .
H9B H -0.2150 0.3325 0.2177 0.034 Uiso 1 1 calc R . .
C10 C -0.30003(15) 0.33346(15) 0.33701(17) 0.0456(5) Uani 1 1 d . . .
H10A H -0.3336 0.2653 0.3187 0.068 Uiso 1 1 calc R . .
H10B H -0.3547 0.3831 0.3167 0.068 Uiso 1 1 calc R . .
H10C H -0.2805 0.3464 0.4069 0.068 Uiso 1 1 calc R . .
C11 C 0.37393(12) 0.28725(11) 0.30783(11) 0.0230(3) Uani 1 1 d . . .
H11A H 0.3645 0.2267 0.3396 0.028 Uiso 1 1 calc R . .
H11B H 0.4457 0.2809 0.2785 0.028 Uiso 1 1 calc R . .
C12 C 0.38278(15) 0.38043(12) 0.38348(12) 0.0307(3) Uani 1 1 d . . .
H12A H 0.3980 0.4403 0.3535 0.046 Uiso 1 1 calc R . .
H12B H 0.4448 0.3727 0.4340 0.046 Uiso 1 1 calc R . .
H12C H 0.3113 0.3884 0.4117 0.046 Uiso 1 1 calc R . .
C13 C 0.27628(12) 0.18147(10) 0.12371(10) 0.0207(3) Uani 1 1 d . . .
H13A H 0.3519 0.1877 0.1018 0.025 Uiso 1 1 calc R . .
H13B H 0.2749 0.1193 0.1544 0.025 Uiso 1 1 calc R . .
C14 C 0.18568(13) 0.17153(12) 0.03669(11) 0.0282(3) Uani 1 1 d . . .
H14A H 0.1105 0.1663 0.0580 0.042 Uiso 1 1 calc R . .
H14B H 0.1987 0.1108 -0.0076 0.042 Uiso 1 1 calc R . .
H14C H 0.1897 0.2311 0.0038 0.042 Uiso 1 1 calc R . .
C15 C 0.28808(12) 0.40089(11) 0.15565(11) 0.0214(3) Uani 1 1 d . . .
H15A H 0.2298 0.4039 0.1001 0.026 Uiso 1 1 calc R . .
H15B H 0.2815 0.4624 0.2022 0.026 Uiso 1 1 calc R . .
C16 C 0.40510(13) 0.40324(12) 0.12066(12) 0.0277(3) Uani 1 1 d . . .
H16A H 0.4640 0.4040 0.1754 0.041 Uiso 1 1 calc R . .
H16B H 0.4135 0.4640 0.0903 0.041 Uiso 1 1 calc R . .
H16C H 0.4128 0.3432 0.0738 0.041 Uiso 1 1 calc R . .
Ni2 Ni 0.485443(14) -0.220283(12) 0.257962(12) 0.01465(4) Uani 1 1 d . . .
Cl2 Cl 0.44650(3) -0.35434(3) 0.32363(3) 0.02722(8) Uani 1 1 d . . .
P3 P 0.30273(3) -0.21180(3) 0.20687(2) 0.01578(7) Uani 1 1 d . . .
P4 P 0.66666(3) -0.23734(3) 0.31079(2) 0.01640(7) Uani 1 1 d . . .
N3 N 0.59462(10) -0.03127(10) 0.07295(9) 0.0240(3) Uani 1 1 d . . .
N4 N 0.53705(10) 0.07758(9) 0.20510(9) 0.0231(3) Uani 1 1 d . . .
F4 F 0.58419(8) -0.19846(7) 0.06725(6) 0.02653(19) Uani 1 1 d . . .
F5 F 0.60261(8) 0.13695(7) 0.08122(8) 0.0353(2) Uani 1 1 d . . .
F6 F 0.46822(8) 0.01468(7) 0.32577(6) 0.02813(19) Uani 1 1 d . . .
C17 C 0.52036(11) -0.10492(10) 0.20276(10) 0.0171(2) Uani 1 1 d . . .
C18 C 0.56529(11) -0.10775(11) 0.11596(10) 0.0193(3) Uani 1 1 d . . .
C19 C 0.57639(12) 0.05640(11) 0.12210(12) 0.0248(3) Uani 1 1 d . . .
C20 C 0.51012(11) -0.00518(11) 0.24137(10) 0.0196(3) Uani 1 1 d . . .
C21 C 0.25782(12) -0.32252(10) 0.11963(10) 0.0206(3) Uani 1 1 d . . .
H21A H 0.2672 -0.3837 0.1518 0.025 Uiso 1 1 calc R . .
H21B H 0.1762 -0.3175 0.0971 0.025 Uiso 1 1 calc R . .
C22 C 0.32400(13) -0.33459(12) 0.03280(11) 0.0275(3) Uani 1 1 d . . .
H22A H 0.3114 -0.2763 -0.0019 0.041 Uiso 1 1 calc R . .
H22B H 0.2980 -0.3965 -0.0100 0.041 Uiso 1 1 calc R . .
H22C H 0.4051 -0.3387 0.0545 0.041 Uiso 1 1 calc R . .
C23 C 0.21066(12) -0.21612(11) 0.30066(11) 0.0225(3) Uani 1 1 d . . .
H23A H 0.1305 -0.2178 0.2717 0.027 Uiso 1 1 calc R . .
H23B H 0.2241 -0.2789 0.3296 0.027 Uiso 1 1 calc R . .
C24 C 0.23128(15) -0.12481(12) 0.37980(12) 0.0309(3) Uani 1 1 d . . .
H24A H 0.3105 -0.1230 0.4088 0.046 Uiso 1 1 calc R . .
H24B H 0.1812 -0.1306 0.4292 0.046 Uiso 1 1 calc R . .
H24C H 0.2153 -0.0626 0.3518 0.046 Uiso 1 1 calc R . .
C25 C 0.25458(12) -0.10313(11) 0.14805(11) 0.0205(3) Uani 1 1 d . . .
H25A H 0.2764 -0.0408 0.1932 0.025 Uiso 1 1 calc R . .
H25B H 0.2959 -0.1015 0.0914 0.025 Uiso 1 1 calc R . .
C26 C 0.12723(12) -0.10077(12) 0.11486(12) 0.0266(3) Uani 1 1 d . . .
H26A H 0.1034 -0.1632 0.0720 0.040 Uiso 1 1 calc R . .
H26B H 0.1116 -0.0427 0.0804 0.040 Uiso 1 1 calc R . .
H26C H 0.0852 -0.0949 0.1709 0.040 Uiso 1 1 calc R . .
C27 C 0.68682(13) -0.21067(12) 0.44152(10) 0.0243(3) Uani 1 1 d . . .
H27A H 0.6402 -0.2592 0.4682 0.029 Uiso 1 1 calc R . .
H27B H 0.7674 -0.2202 0.4650 0.029 Uiso 1 1 calc R . .
C28 C 0.65391(16) -0.10311(14) 0.47750(12) 0.0357(4) Uani 1 1 d . . .
H28A H 0.7008 -0.0548 0.4520 0.054 Uiso 1 1 calc R . .
H28B H 0.6661 -0.0916 0.5479 0.054 Uiso 1 1 calc R . .
H28C H 0.5737 -0.0939 0.4556 0.054 Uiso 1 1 calc R . .
C29 C 0.71675(13) -0.36618(11) 0.28297(12) 0.0256(3) Uani 1 1 d . . .
H29A H 0.8004 -0.3657 0.2972 0.031 Uiso 1 1 calc R . .
H29B H 0.6848 -0.4098 0.3249 0.031 Uiso 1 1 calc R . .
C30 C 0.68311(14) -0.41058(13) 0.17803(13) 0.0330(4) Uani 1 1 d . . .
H30A H 0.6002 -0.4146 0.1644 0.050 Uiso 1 1 calc R . .
H30B H 0.7137 -0.4784 0.1661 0.050 Uiso 1 1 calc R . .
H30C H 0.7138 -0.3672 0.1362 0.050 Uiso 1 1 calc R . .
C31 C 0.77384(12) -0.15704(11) 0.27155(11) 0.0219(3) Uani 1 1 d . . .
H31A H 0.7759 -0.1771 0.2018 0.026 Uiso 1 1 calc R . .
H31B H 0.7485 -0.0864 0.2807 0.026 Uiso 1 1 calc R . .
C32 C 0.89475(13) -0.15954(13) 0.32193(14) 0.0334(4) Uani 1 1 d . . .
H32A H 0.8954 -0.1361 0.3908 0.050 Uiso 1 1 calc R . .
H32B H 0.9445 -0.1153 0.2944 0.050 Uiso 1 1 calc R . .
H32C H 0.9219 -0.2288 0.3129 0.050 Uiso 1 1 calc R . .
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'
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'
Ni Ni 0.3393 1.1124 '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'
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
C1 Ni1 Cl1 178.30(4) . . ?
C1 Ni1 P1 92.11(4) . . ?
Cl1 Ni1 P1 87.395(14) . . ?
C1 Ni1 P2 91.51(4) . . ?
Cl1 Ni1 P2 88.983(14) . . ?
P1 Ni1 P2 176.378(15) . . ?
C7 P1 C5 103.51(8) . . ?
C7 P1 C9 105.30(8) . . ?
C5 P1 C9 104.94(8) . . ?
C7 P1 Ni1 110.28(6) . . ?
C5 P1 Ni1 113.11(6) . . ?
C9 P1 Ni1 118.40(5) . . ?
C13 P2 C11 104.65(7) . . ?
C13 P2 C15 105.02(7) . . ?
C11 P2 C15 104.41(7) . . ?
C13 P2 Ni1 109.16(5) . . ?
C11 P2 Ni1 113.68(5) . . ?
C15 P2 Ni1 118.72(5) . . ?
C3 N1 C2 112.03(13) . . ?
C3 N2 C4 112.59(13) . . ?
C4 C1 C2 108.62(12) . . ?
C4 C1 Ni1 126.57(11) . . ?
C2 C1 Ni1 124.81(11) . . ?
N1 C2 F1 113.27(12) . . ?
N1 C2 C1 128.70(14) . . ?
F1 C2 C1 118.03(12) . . ?
N1 C3 N2 129.96(14) . . ?
N1 C3 F2 114.99(15) . . ?
N2 C3 F2 115.04(15) . . ?
N2 C4 F3 113.51(13) . . ?
N2 C4 C1 128.09(14) . . ?
F3 C4 C1 118.40(12) . . ?
C6 C5 P1 112.68(12) . . ?
C8 C7 P1 112.41(12) . . ?
C10 C9 P1 116.95(12) . . ?
C12 C11 P2 113.35(11) . . ?
C14 C13 P2 112.69(10) . . ?
C16 C15 P2 115.65(10) . . ?
C17 Ni2 Cl2 179.31(4) . . ?
C17 Ni2 P3 91.77(4) . . ?
Cl2 Ni2 P3 88.834(14) . . ?
C17 Ni2 P4 91.29(4) . . ?
Cl2 Ni2 P4 88.110(14) . . ?
P3 Ni2 P4 176.844(14) . . ?
C23 P3 C21 103.89(7) . . ?
C23 P3 C25 104.55(7) . . ?
C21 P3 C25 105.20(7) . . ?
C23 P3 Ni2 113.75(5) . . ?
C21 P3 Ni2 109.77(5) . . ?
C25 P3 Ni2 118.40(5) . . ?
C27 P4 C29 104.88(7) . . ?
C27 P4 C31 104.72(7) . . ?
C29 P4 C31 104.37(7) . . ?
C27 P4 Ni2 109.43(5) . . ?
C29 P4 Ni2 113.53(5) . . ?
C31 P4 Ni2 118.72(5) . . ?
C19 N3 C18 112.18(13) . . ?
C19 N4 C20 112.40(13) . . ?
C20 C17 C18 108.68(12) . . ?
C20 C17 Ni2 126.95(11) . . ?
C18 C17 Ni2 124.33(10) . . ?
N3 C18 F4 113.23(12) . . ?
N3 C18 C17 128.55(14) . . ?
F4 C18 C17 118.22(12) . . ?
N4 C19 N3 130.07(13) . . ?
N4 C19 F5 114.98(14) . . ?
N3 C19 F5 114.96(14) . . ?
N4 C20 F6 113.45(12) . . ?
N4 C20 C17 128.11(13) . . ?
F6 C20 C17 118.44(12) . . ?
C22 C21 P3 113.39(10) . . ?
C24 C23 P3 112.04(10) . . ?
C26 C25 P3 116.15(10) . . ?
C28 C27 P4 111.90(10) . . ?
C30 C29 P4 112.42(11) . . ?
C32 C31 P4 116.64(11) . . ?
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 C1 1.8849(13) . ?
Ni1 Cl1 2.1983(4) . ?
Ni1 P1 2.2151(4) . ?
Ni1 P2 2.2152(4) . ?
P1 C7 1.8265(17) . ?
P1 C5 1.8280(16) . ?
P1 C9 1.8377(15) . ?
P2 C13 1.8260(14) . ?
P2 C11 1.8303(14) . ?
P2 C15 1.8359(14) . ?
F1 C2 1.3483(17) . ?
F2 C3 1.3439(17) . ?
F3 C4 1.3449(17) . ?
N1 C3 1.310(2) . ?
N1 C2 1.3253(18) . ?
N2 C3 1.310(2) . ?
N2 C4 1.3290(18) . ?
C1 C4 1.3817(19) . ?
C1 C2 1.3876(19) . ?
C5 C6 1.529(3) . ?
C7 C8 1.521(3) . ?
C9 C10 1.529(2) . ?
C11 C12 1.521(2) . ?
C13 C14 1.527(2) . ?
C15 C16 1.530(2) . ?
Ni2 C17 1.8858(13) . ?
Ni2 Cl2 2.1984(4) . ?
Ni2 P3 2.2132(4) . ?
Ni2 P4 2.2172(4) . ?
P3 C23 1.8213(14) . ?
P3 C21 1.8241(14) . ?
P3 C25 1.8345(14) . ?
P4 C27 1.8211(15) . ?
P4 C29 1.8333(15) . ?
P4 C31 1.8398(14) . ?
N3 C19 1.311(2) . ?
N3 C18 1.3235(18) . ?
N4 C19 1.310(2) . ?
N4 C20 1.3334(18) . ?
F4 C18 1.3440(17) . ?
F5 C19 1.3412(17) . ?
F6 C20 1.3405(16) . ?
C17 C20 1.3816(19) . ?
C17 C18 1.3908(19) . ?
C21 C22 1.525(2) . ?
C23 C24 1.535(2) . ?
C25 C26 1.5314(19) . ?
C27 C28 1.528(2) . ?
C29 C30 1.526(2) . ?
C31 C32 1.528(2) . ?
