#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/07/7050709.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_7050709
loop_
_publ_author_name
'Carmen Carrión, M.'
'Díaz, Alberto'
'Guerrero, Ana'
'Jalón, Félix A.'
'Manzano, Blanca R.'
'Rodríguez, Ana'
_publ_section_title
;
 New palladium and platinum polyfluorophenyl complexes with pyrazolyl
 N-donor ligands. Analysis of the restricted rotation of the
 polyfluorophenyl rings
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              305
_journal_paper_doi               10.1039/b108139j
_journal_volume                  26
_journal_year                    2002
_chemical_formula_sum            'C33 H24 F10 Fe N4 Pd'
_chemical_formula_weight         828.81
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 105.41(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8040(10)
_cell_length_b                   16.86(3)
_cell_length_c                   15.137(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3150(6)
_computing_cell_refinement       'Nonius (control program)'
_computing_data_collection       'Nonius (control program)'
_computing_data_reduction        'XRAY80 (Stewart, 1976)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'four circle diffractometer Nonius-Mach3'
_diffrn_measurement_method       'ω/2θ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0706
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7576
_diffrn_reflns_theta_full        27.98
_diffrn_reflns_theta_max         27.98
_diffrn_reflns_theta_min         2.04
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.122
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.562
_refine_diff_density_min         -0.452
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7576
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.0843
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[σ²(Fo²)+(0.0342P)²+0.0000P] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.1004
_reflns_number_gt                4494
_reflns_number_total             7576
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b108139j.txt
_cod_data_source_block           10
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7050709
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Pd1 Pd 0.37869(2) 0.08366(2) 0.27957(2) 0.03519(9) Uani 1 1 d . . .
Fe2 Fe 0.24655(5) 0.14301(5) -0.07790(4) 0.0515(2) Uani 1 1 d . . .
C1 C 0.4192(4) 0.1815(3) 0.1100(3) 0.0431(11) Uani 1 1 d . . .
H1 H 0.4399 0.2153 0.0648 0.052 Uiso 1 1 calc . . .
N11 N 0.3832(3) 0.2346(2) 0.1715(2) 0.0401(8) Uani 1 1 d . . .
N12 N 0.3633(3) 0.2076(2) 0.2511(2) 0.0390(8) Uani 1 1 d . . .
C11 C 0.3696(3) 0.3147(3) 0.1626(3) 0.0451(11) Uani 1 1 d . . .
C12 C 0.3413(4) 0.3394(3) 0.2380(3) 0.0478(11) Uani 1 1 d . . .
H12 H 0.3262 0.3913 0.2514 0.057 Uiso 1 1 calc . . .
C13 C 0.3390(3) 0.2731(3) 0.2916(3) 0.0416(10) Uani 1 1 d . . .
C14 C 0.3197(4) 0.2720(3) 0.3849(3) 0.0607(14) Uani 1 1 d . . .
H14A H 0.3226 0.2183 0.4065 0.091 Uiso 1 1 calc . . .
H14B H 0.2497 0.2940 0.3817 0.091 Uiso 1 1 calc . . .
H14C H 0.3745 0.3028 0.4263 0.091 Uiso 1 1 calc . . .
C15 C 0.3860(5) 0.3599(3) 0.0829(4) 0.0711(16) Uani 1 1 d . . .
H15A H 0.4061 0.3240 0.0410 0.107 Uiso 1 1 calc . . .
H15B H 0.4425 0.3983 0.1038 0.107 Uiso 1 1 calc . . .
H15C H 0.3200 0.3865 0.0523 0.107 Uiso 1 1 calc . . .
N21 N 0.5176(3) 0.1396(2) 0.1593(2) 0.0424(9) Uani 1 1 d . . .
N22 N 0.5186(2) 0.0931(2) 0.2335(2) 0.0375(8) Uani 1 1 d . . .
C21 C 0.6202(3) 0.0683(2) 0.2649(3) 0.0370(10) Uani 1 1 d . . .
C22 C 0.6835(3) 0.0986(3) 0.2111(3) 0.0516(13) Uani 1 1 d . . .
H22 H 0.7569 0.0894 0.2186 0.062 Uiso 1 1 calc . . .
C23 C 0.6180(4) 0.1441(3) 0.1458(3) 0.0527(12) Uani 1 1 d . . .
C24 C 0.6413(5) 0.1914(4) 0.0690(4) 0.092(2) Uani 1 1 d . . .
H24A H 0.5763 0.2174 0.0352 0.138 Uiso 1 1 calc . . .
H24B H 0.6666 0.1565 0.0290 0.138 Uiso 1 1 calc . . .
H24C H 0.6959 0.2303 0.0938 0.138 Uiso 1 1 calc . . .
C25 C 0.6560(3) 0.0181(3) 0.3485(3) 0.0500(12) Uani 1 1 d . . .
H25A H 0.5947 0.0056 0.3713 0.075 Uiso 1 1 calc . . .
H25B H 0.7088 0.0464 0.3946 0.075 Uiso 1 1 calc . . .
H25C H 0.6875 -0.0301 0.3336 0.075 Uiso 1 1 calc . . .
C31 C 0.3317(4) 0.1272(3) 0.0566(3) 0.0475(11) Uani 1 1 d . . .
C32 C 0.2196(4) 0.1340(3) 0.0491(3) 0.0597(14) Uani 1 1 d . . .
H32 H 0.1869 0.1718 0.0777 0.072 Uiso 1 1 calc . . .
C33 C 0.1663(5) 0.0728(4) -0.0096(4) 0.0815(19) Uani 1 1 d . . .
H33 H 0.0919 0.0638 -0.0270 0.098 Uiso 1 1 calc . . .
C34 C 0.2427(7) 0.0285(4) -0.0370(4) 0.099(2) Uani 1 1 d . . .
H34 H 0.2287 -0.0161 -0.0745 0.118 Uiso 1 1 calc . . .
C35 C 0.3461(5) 0.0620(3) 0.0016(4) 0.081(2) Uani 1 1 d . . .
H35 H 0.4114 0.0446 -0.0075 0.097 Uiso 1 1 calc . . .
C41 C 0.2980(5) 0.1656(5) -0.1911(4) 0.089(2) Uani 1 1 d . . .
H41 H 0.3542 0.1394 -0.2071 0.107 Uiso 1 1 calc . . .
C42 C 0.1904(6) 0.1438(5) -0.2158(4) 0.101(3) Uani 1 1 d . . .
H42 H 0.1615 0.1005 -0.2522 0.121 Uiso 1 1 calc . . .
C43 C 0.1317(5) 0.1975(6) -0.1771(5) 0.109(3) Uani 1 1 d . . .
H43 H 0.0576 0.1966 -0.1826 0.130 Uiso 1 1 calc . . .
C44 C 0.2061(6) 0.2520(4) -0.1291(4) 0.087(2) Uani 1 1 d . . .
H44 H 0.1901 0.2946 -0.0959 0.104 Uiso 1 1 calc . . .
C45 C 0.3075(5) 0.2335(4) -0.1382(4) 0.0720(16) Uani 1 1 d . . .
H45 H 0.3710 0.2617 -0.1132 0.086 Uiso 1 1 calc . . .
C51 C 0.3992(3) -0.0346(3) 0.3004(3) 0.0393(10) Uani 1 1 d . . .
C52 C 0.4089(3) -0.0729(3) 0.3815(3) 0.0425(10) Uani 1 1 d . . .
C53 C 0.4336(4) -0.1520(3) 0.3967(4) 0.0522(12) Uani 1 1 d . . .
C54 C 0.4476(4) -0.1980(3) 0.3265(4) 0.0592(14) Uani 1 1 d . . .
C55 C 0.4366(4) -0.1634(3) 0.2420(4) 0.0536(13) Uani 1 1 d . . .
C56 C 0.4116(3) -0.0838(3) 0.2309(3) 0.0444(10) Uani 1 1 d . . .
F52 F 0.3969(2) -0.03327(17) 0.45524(17) 0.0616(8) Uani 1 1 d . . .
F53 F 0.4415(3) -0.18586(18) 0.4783(2) 0.0802(10) Uani 1 1 d . . .
F54 F 0.4712(3) -0.27564(17) 0.3383(3) 0.0889(11) Uani 1 1 d . . .
F55 F 0.4482(2) -0.20816(17) 0.1711(2) 0.0771(9) Uani 1 1 d . . .
F56 F 0.4025(2) -0.05481(17) 0.14552(18) 0.0668(8) Uani 1 1 d . . .
C61 C 0.2427(3) 0.0756(3) 0.3224(3) 0.0397(10) Uani 1 1 d . . .
C62 C 0.1444(3) 0.0560(3) 0.2628(3) 0.0429(11) Uani 1 1 d . . .
C63 C 0.0480(3) 0.0550(3) 0.2858(4) 0.0543(13) Uani 1 1 d . . .
C64 C 0.0456(4) 0.0726(3) 0.3735(4) 0.0569(13) Uani 1 1 d . . .
C65 C 0.1408(4) 0.0902(3) 0.4362(3) 0.0520(12) Uani 1 1 d . . .
C66 C 0.2365(3) 0.0912(3) 0.4108(3) 0.0452(11) Uani 1 1 d . . .
F62 F 0.1397(2) 0.03562(17) 0.17549(18) 0.0598(7) Uani 1 1 d . . .
F63 F -0.0452(2) 0.0368(2) 0.2234(2) 0.0854(10) Uani 1 1 d . . .
F64 F -0.0475(2) 0.0716(2) 0.3983(2) 0.0927(11) Uani 1 1 d . . .
F65 F 0.1403(3) 0.10670(19) 0.5238(2) 0.0774(9) Uani 1 1 d . . .
F66 F 0.3263(2) 0.11053(17) 0.47733(17) 0.0595(7) 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
Pd Pd -0.9988 1.0072 '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
C61 Pd1 C51 88.37(17) . . ?
C61 Pd1 N22 179.11(16) . . ?
C51 Pd1 N22 92.26(15) . . ?
C61 Pd1 N12 95.13(15) . . ?
C51 Pd1 N12 176.15(15) . . ?
N22 Pd1 N12 84.22(13) . . ?
C44 Fe2 C42 67.1(3) . . ?
C44 Fe2 C43 40.2(3) . . ?
C42 Fe2 C43 40.5(3) . . ?
C44 Fe2 C33 128.2(3) . . ?
C42 Fe2 C33 116.3(3) . . ?
C43 Fe2 C33 106.1(3) . . ?
C44 Fe2 C41 67.1(3) . . ?
C42 Fe2 C41 39.8(2) . . ?
C43 Fe2 C41 67.8(3) . . ?
C33 Fe2 C41 149.9(3) . . ?
C44 Fe2 C35 154.3(3) . . ?
C42 Fe2 C35 127.7(3) . . ?
C43 Fe2 C35 164.5(4) . . ?
C33 Fe2 C35 68.1(3) . . ?
C41 Fe2 C35 109.5(3) . . ?
C44 Fe2 C45 39.8(2) . . ?
C42 Fe2 C45 66.8(3) . . ?
C43 Fe2 C45 67.5(3) . . ?
C33 Fe2 C45 167.1(3) . . ?
C41 Fe2 C45 39.8(2) . . ?
C35 Fe2 C45 121.0(3) . . ?
C44 Fe2 C34 164.2(3) . . ?
C42 Fe2 C34 106.9(3) . . ?
C43 Fe2 C34 125.9(3) . . ?
C33 Fe2 C34 39.8(3) . . ?
C41 Fe2 C34 118.4(3) . . ?
C35 Fe2 C34 40.8(3) . . ?
C45 Fe2 C34 153.1(3) . . ?
C44 Fe2 C32 109.9(2) . . ?
C42 Fe2 C32 150.3(3) . . ?
C43 Fe2 C32 117.4(3) . . ?
C33 Fe2 C32 40.6(2) . . ?
C41 Fe2 C32 168.8(2) . . ?
C35 Fe2 C32 68.3(2) . . ?
C45 Fe2 C32 131.1(2) . . ?
C34 Fe2 C32 67.6(3) . . ?
C44 Fe2 C31 121.0(2) . . ?
C42 Fe2 C31 167.0(3) . . ?
C43 Fe2 C31 152.2(3) . . ?
C33 Fe2 C31 68.0(2) . . ?
C41 Fe2 C31 130.9(2) . . ?
C35 Fe2 C31 40.68(19) . . ?
C45 Fe2 C31 112.1(2) . . ?
C34 Fe2 C31 67.9(2) . . ?
C32 Fe2 C31 40.32(18) . . ?
N11 C1 N21 110.3(3) . . ?
N11 C1 C31 113.7(4) . . ?
N21 C1 C31 113.3(4) . . ?
C11 N11 N12 111.5(4) . . ?
C11 N11 C1 127.0(4) . . ?
N12 N11 C1 121.5(3) . . ?
C13 N12 N11 104.3(3) . . ?
C13 N12 Pd1 137.5(3) . . ?
N11 N12 Pd1 118.3(2) . . ?
C12 C11 N11 106.1(4) . . ?
C12 C11 C15 130.9(5) . . ?
N11 C11 C15 123.0(4) . . ?
C11 C12 C13 107.4(4) . . ?
N12 C13 C12 110.7(4) . . ?
N12 C13 C14 122.4(4) . . ?
C12 C13 C14 126.7(4) . . ?
C23 N21 N22 110.7(3) . . ?
C23 N21 C1 128.1(4) . . ?
N22 N21 C1 120.9(3) . . ?
C21 N22 N21 105.6(3) . . ?
C21 N22 Pd1 134.4(3) . . ?
N21 N22 Pd1 119.7(2) . . ?
N22 C21 C22 110.0(4) . . ?
N22 C21 C25 122.3(4) . . ?
C22 C21 C25 127.7(4) . . ?
C23 C22 C21 107.0(4) . . ?
C22 C23 N21 106.6(4) . . ?
C22 C23 C24 130.9(5) . . ?
N21 C23 C24 122.5(4) . . ?
C32 C31 C35 107.7(5) . . ?
C32 C31 C1 126.0(4) . . ?
C35 C31 C1 126.3(5) . . ?
C32 C31 Fe2 69.5(3) . . ?
C35 C31 Fe2 68.7(3) . . ?
C1 C31 Fe2 125.1(3) . . ?
C31 C32 C33 107.5(5) . . ?
C31 C32 Fe2 70.1(3) . . ?
C33 C32 Fe2 68.7(3) . . ?
C34 C33 C32 108.7(6) . . ?
C34 C33 Fe2 70.5(4) . . ?
C32 C33 Fe2 70.6(3) . . ?
C33 C34 C35 108.7(6) . . ?
C33 C34 Fe2 69.7(4) . . ?
C35 C34 Fe2 69.5(4) . . ?
C34 C35 C31 107.3(6) . . ?
C34 C35 Fe2 69.7(3) . . ?
C31 C35 Fe2 70.6(3) . . ?
C42 C41 C45 107.8(6) . . ?
C42 C41 Fe2 69.7(3) . . ?
C45 C41 Fe2 70.4(3) . . ?
C41 C42 C43 108.8(7) . . ?
C41 C42 Fe2 70.5(3) . . ?
C43 C42 Fe2 69.8(3) . . ?
C44 C43 C42 106.2(6) . . ?
C44 C43 Fe2 69.4(3) . . ?
C42 C43 Fe2 69.6(4) . . ?
C45 C44 C43 109.4(7) . . ?
C45 C44 Fe2 71.2(4) . . ?
C43 C44 Fe2 70.4(4) . . ?
C44 C45 C41 107.7(6) . . ?
C44 C45 Fe2 69.0(4) . . ?
C41 C45 Fe2 69.8(4) . . ?
C52 C51 C56 113.6(4) . . ?
C52 C51 Pd1 125.7(3) . . ?
C56 C51 Pd1 120.6(3) . . ?
F52 C52 C51 120.5(4) . . ?
F52 C52 C53 114.6(4) . . ?
C51 C52 C53 124.9(5) . . ?
F53 C53 C54 118.9(5) . . ?
F53 C53 C52 121.6(5) . . ?
C54 C53 C52 119.5(5) . . ?
F54 C54 C53 121.4(5) . . ?
F54 C54 C55 119.9(5) . . ?
C53 C54 C55 118.8(5) . . ?
F55 C55 C56 121.1(5) . . ?
F55 C55 C54 119.7(5) . . ?
C56 C55 C54 119.1(5) . . ?
F56 C56 C55 115.1(4) . . ?
F56 C56 C51 120.7(4) . . ?
C55 C56 C51 124.1(4) . . ?
C62 C61 C66 113.6(4) . . ?
C62 C61 Pd1 121.4(3) . . ?
C66 C61 Pd1 125.0(3) . . ?
F62 C62 C63 115.9(4) . . ?
F62 C62 C61 119.8(4) . . ?
C63 C62 C61 124.3(4) . . ?
F63 C63 C64 119.1(4) . . ?
F63 C63 C62 121.1(5) . . ?
C64 C63 C62 119.8(4) . . ?
F64 C64 C63 121.3(5) . . ?
F64 C64 C65 120.2(5) . . ?
C63 C64 C65 118.5(4) . . ?
F65 C65 C64 119.4(4) . . ?
F65 C65 C66 120.4(4) . . ?
C64 C65 C66 120.2(4) . . ?
F66 C66 C65 116.0(4) . . ?
F66 C66 C61 120.6(4) . . ?
C65 C66 C61 123.4(4) . . ?
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
Pd1 C61 2.018(4) . ?
Pd1 C51 2.025(6) . ?
Pd1 N22 2.094(3) . ?
Pd1 N12 2.131(5) . ?
Fe2 C44 2.009(7) . ?
Fe2 C42 2.019(5) . ?
Fe2 C43 2.022(6) . ?
Fe2 C33 2.023(6) . ?
Fe2 C41 2.029(6) . ?
Fe2 C35 2.031(5) . ?
Fe2 C45 2.037(6) . ?
Fe2 C34 2.033(7) . ?
Fe2 C32 2.047(5) . ?
Fe2 C31 2.055(4) . ?
C1 N11 1.452(5) . ?
C1 N21 1.465(5) . ?
C1 C31 1.506(6) . ?
N11 C11 1.365(6) . ?
N11 N12 1.375(4) . ?
N12 C13 1.340(5) . ?
C11 C12 1.350(6) . ?
C11 C15 1.489(6) . ?
C12 C13 1.385(6) . ?
C13 C14 1.498(6) . ?
N21 C23 1.357(5) . ?
N21 N22 1.366(4) . ?
N22 C21 1.329(5) . ?
C21 C22 1.390(6) . ?
C21 C25 1.490(6) . ?
C22 C23 1.351(6) . ?
C23 C24 1.503(7) . ?
C31 C32 1.414(7) . ?
C31 C35 1.420(7) . ?
C32 C33 1.414(7) . ?
C33 C34 1.379(9) . ?
C34 C35 1.415(9) . ?
C41 C42 1.379(8) . ?
C41 C45 1.384(8) . ?
C42 C43 1.400(10) . ?
C43 C44 1.384(10) . ?
C44 C45 1.377(8) . ?
C51 C52 1.365(6) . ?
C51 C56 1.382(6) . ?
C52 F52 1.344(5) . ?
C52 C53 1.375(7) . ?
C53 F53 1.340(5) . ?
C53 C54 1.365(7) . ?
C54 F54 1.345(6) . ?
C54 C55 1.378(7) . ?
C55 F55 1.351(5) . ?
C55 C56 1.381(7) . ?
C56 F56 1.357(5) . ?
C61 C62 1.379(6) . ?
C61 C66 1.386(6) . ?
C62 F62 1.352(5) . ?
C62 C63 1.370(6) . ?
C63 F63 1.346(5) . ?
C63 C64 1.368(7) . ?
C64 F64 1.342(5) . ?
C64 C65 1.364(7) . ?
C65 F65 1.357(5) . ?
C65 C66 1.379(6) . ?
C66 F66 1.352(5) . ?
