#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:54:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179134 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/96/4309670.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_4309670
loop_
_publ_author_name
'Krzysztof Chłopek'
'Eckhard Bill'
'Thomas Weyhermüller'
'Karl Wieghardt'
_publ_section_title
;
Molecular and Electronic Structure of Five-Coordinate Complexes of
Iron(II/III) Containingo-Diiminobenzosemiquinonate(1-) π Radical Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7087
_journal_page_last               7098
_journal_paper_doi               10.1021/ic050829k
_journal_volume                  44
_journal_year                    2005
_chemical_formula_analytical     '[C36 H47 Fe N4 P1]+, (PF6)-'
_chemical_formula_sum            'C36 H47 F6 Fe N4 P2'
_chemical_formula_weight         767.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 106.98(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5157(3)
_cell_length_b                   19.7687(3)
_cell_length_c                   16.9228(3)
_cell_measurement_reflns_used    131016
_cell_measurement_temperature    100(2)
_cell_volume                     3684.5(2)
_computing_cell_refinement       'DENZO, Nonius Collect Software'
_computing_data_collection       'DENZO, Nonius Collect Software'
_computing_data_reduction        'DENZO, Nonius Collect Software'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_device       'Nonius Kappa-CCD'
_diffrn_measurement_method       '1050 images at 0.9 deg. in ω and 45 sec.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode, 50kV, 80mA'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_av_sigmaI/netI    0.0332
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            103666
_diffrn_reflns_theta_max         33.00
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    0.558
_exptl_absorpt_correction_T_max  0.9590
_exptl_absorpt_correction_T_min  0.8728
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_colour            'deep brown'
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_description       'opaque block'
_exptl_crystal_F_000             1604
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.353
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.024
_refine_ls_goodness_of_fit_obs   1.059
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         13830
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_restrained_S_obs      1.059
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_obs          0.0350
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0311P)²+1.8793P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0831
_refine_ls_wR_factor_obs         0.0770
_reflns_number_observed          11345
_reflns_number_total             13872
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic050829ksi20050523_064057_2.cif
_cod_data_source_block           2ox
_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.

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' 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:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0311P)^2^+1.8793P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0311P)^2^+1.8793P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3684.54(13)
_cod_database_code               4309670
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Fe1 Fe 0.055274(13) 0.423093(8) 0.356370(9) 0.01047(4) Uani 1 d . .
P30 P -0.01404(3) 0.371392(14) 0.22727(2) 0.01246(5) Uani 1 d . .
N1 N 0.09148(8) 0.50343(5) 0.31091(6) 0.0127(2) Uani 1 d . .
H1 H 0.0409(15) 0.5317(9) 0.2814(10) 0.026(4) Uiso 1 d . .
C1 C 0.20897(10) 0.51740(5) 0.32123(7) 0.0125(2) Uani 1 d . .
C2 C 0.25643(10) 0.57402(6) 0.28951(7) 0.0155(2) Uani 1 d . .
H2 H 0.20495(10) 0.60594(6) 0.25675(7) 0.019 Uiso 1 calc R .
C3 C 0.38022(11) 0.58057(6) 0.30834(8) 0.0185(2) Uani 1 d . .
H3 H 0.41272(11) 0.61731(6) 0.28776(8) 0.022 Uiso 1 calc R .
C4 C 0.45937(10) 0.53239(6) 0.35856(8) 0.0188(2) Uani 1 d . .
H4 H 0.54281(10) 0.53882(6) 0.37139(8) 0.023 Uiso 1 calc R .
C5 C 0.41580(10) 0.47639(6) 0.38876(7) 0.0162(2) Uani 1 d . .
H5 H 0.46886(10) 0.44498(6) 0.42125(7) 0.019 Uiso 1 calc R .
C6 C 0.28850(9) 0.46741(5) 0.36945(6) 0.0122(2) Uani 1 d . .
N7 N 0.22742(8) 0.41542(5) 0.39201(6) 0.0120(2) Uani 1 d . .
C8 C 0.29914(9) 0.36100(5) 0.43772(7) 0.0123(2) Uani 1 d . .
C9 C 0.30683(10) 0.35209(6) 0.52058(7) 0.0157(2) Uani 1 d . .
H9 H 0.26475(10) 0.38077(6) 0.54610(7) 0.019 Uiso 1 calc R .
C10 C 0.37789(11) 0.29999(6) 0.56519(8) 0.0202(2) Uani 1 d . .
H10 H 0.38373(11) 0.29426(6) 0.62076(8) 0.024 Uiso 1 calc R .
C11 C 0.43996(11) 0.25659(6) 0.52748(8) 0.0218(2) Uani 1 d . .
H11 H 0.48724(11) 0.22188(6) 0.55759(8) 0.026 Uiso 1 calc R .
C12 C 0.43125(12) 0.26519(7) 0.44467(8) 0.0222(2) Uani 1 d . .
H12 H 0.47208(12) 0.23584(7) 0.41904(8) 0.027 Uiso 1 calc R .
C13 C 0.36166(11) 0.31754(6) 0.39973(8) 0.0190(2) Uani 1 d . .
H13 H 0.35689(11) 0.32351(6) 0.34436(8) 0.023 Uiso 1 calc R .
N14 N 0.02739(8) 0.35046(5) 0.41886(6) 0.0127(2) Uani 1 d . .
H14 H 0.0688(16) 0.3137(9) 0.4310(11) 0.031(5) Uiso 1 d . .
C14 C -0.07198(10) 0.35335(6) 0.44509(7) 0.0127(2) Uani 1 d . .
C15 C -0.11450(10) 0.30340(6) 0.49019(7) 0.0162(2) Uani 1 d . .
H15 H -0.07501(10) 0.26199(6) 0.50243(7) 0.019 Uiso 1 calc R .
C16 C -0.21499(11) 0.31734(6) 0.51544(8) 0.0192(2) Uani 1 d . .
H16 H -0.24365(11) 0.28477(6) 0.54474(8) 0.023 Uiso 1 calc R .
C17 C -0.27608(11) 0.38045(6) 0.49773(7) 0.0191(2) Uani 1 d . .
H17 H -0.34201(11) 0.38913(6) 0.51743(7) 0.023 Uiso 1 calc R .
C18 C -0.23922(10) 0.42893(6) 0.45189(7) 0.0162(2) Uani 1 d . .
H18 H -0.28054(10) 0.46983(6) 0.43987(7) 0.019 Uiso 1 calc R .
C19 C -0.13742(10) 0.41573(5) 0.42323(7) 0.0125(2) Uani 1 d . .
N20 N -0.08811(8) 0.45658(5) 0.37695(6) 0.0119(2) Uani 1 d . .
C21 C -0.15125(10) 0.51739(6) 0.34292(7) 0.0134(2) Uani 1 d . .
C22 C -0.09566(11) 0.57996(6) 0.36557(7) 0.0171(2) Uani 1 d . .
H22 H -0.02066(11) 0.58246(6) 0.40554(7) 0.021 Uiso 1 calc R .
C23 C -0.15277(13) 0.63872(6) 0.32817(9) 0.0240(3) Uani 1 d . .
H23 H -0.11588(13) 0.68048(6) 0.34349(9) 0.029 Uiso 1 calc R .
C24 C -0.26430(13) 0.63531(7) 0.26821(9) 0.0266(3) Uani 1 d . .
H24 H -0.30124(13) 0.67458(7) 0.24250(9) 0.032 Uiso 1 calc R .
C25 C -0.32063(12) 0.57323(7) 0.24670(8) 0.0247(3) Uani 1 d . .
H25 H -0.39602(12) 0.57105(7) 0.20709(8) 0.030 Uiso 1 calc R .
C26 C -0.26491(11) 0.51399(6) 0.28409(8) 0.0189(2) Uani 1 d . .
H26 H -0.30329(11) 0.47246(6) 0.26989(8) 0.023 Uiso 1 calc R .
C31 C -0.10954(10) 0.29780(6) 0.22727(7) 0.0157(2) Uani 1 d . .
H31A H -0.12485(10) 0.27473(6) 0.17463(7) 0.019 Uiso 1 calc R .
H31B H -0.06584(10) 0.26678(6) 0.27006(7) 0.019 Uiso 1 calc R .
C32 C -0.23143(10) 0.31525(6) 0.24169(7) 0.0164(2) Uani 1 d . .
H32A H -0.21703(10) 0.34277(6) 0.29108(7) 0.020 Uiso 1 calc R .
H32B H -0.27983(10) 0.34162(6) 0.19541(7) 0.020 Uiso 1 calc R .
C33 C -0.30175(11) 0.25209(6) 0.25140(8) 0.0201(2) Uani 1 d . .
H33A H -0.32656(11) 0.22806(6) 0.19917(8) 0.024 Uiso 1 calc R .
H33B H -0.24887(11) 0.22247(6) 0.29198(8) 0.024 Uiso 1 calc R .
C34 C -0.41331(12) 0.26840(7) 0.27830(9) 0.0261(3) Uani 1 d . .
H34A H -0.45460(12) 0.22722(7) 0.28359(9) 0.039 Uiso 1 calc R .
H34B H -0.46680(12) 0.29695(7) 0.23776(9) 0.039 Uiso 1 calc R .
H34C H -0.38912(12) 0.29136(7) 0.33055(9) 0.039 Uiso 1 calc R .
C41 C -0.10292(10) 0.42716(6) 0.14610(7) 0.0151(2) Uani 1 d . .
H41A H -0.16471(10) 0.44920(6) 0.16553(7) 0.018 Uiso 1 calc R .
H41B H -0.04998(10) 0.46208(6) 0.13576(7) 0.018 Uiso 1 calc R .
C42 C -0.16477(11) 0.39077(6) 0.06447(7) 0.0185(2) Uani 1 d . .
H42A H -0.10296(11) 0.37046(6) 0.04352(7) 0.022 Uiso 1 calc R .
H42B H -0.21528(11) 0.35463(6) 0.07497(7) 0.022 Uiso 1 calc R .
C43 C -0.24265(13) 0.43773(7) -0.00103(8) 0.0253(3) Uani 1 d . .
H43A H -0.29824(13) 0.46222(7) 0.02195(8) 0.030 Uiso 1 calc R .
H43B H -0.19089(13) 0.47052(7) -0.01688(8) 0.030 Uiso 1 calc R .
C44 C -0.31470(15) 0.39901(8) -0.07710(9) 0.0324(3) Uani 1 d . .
H44A H -0.36266(15) 0.43011(8) -0.11702(9) 0.049 Uiso 1 calc R .
H44B H -0.36712(15) 0.36708(8) -0.06177(9) 0.049 Uiso 1 calc R .
H44C H -0.25985(15) 0.37538(8) -0.10057(9) 0.049 Uiso 1 calc R .
C51 C 0.10791(10) 0.33766(6) 0.18995(7) 0.0158(2) Uani 1 d . .
H51A H 0.15664(10) 0.30709(6) 0.23133(7) 0.019 Uiso 1 calc R .
H51B H 0.07211(10) 0.31144(6) 0.14035(7) 0.019 Uiso 1 calc R .
C52 C 0.19148(11) 0.39126(6) 0.17050(8) 0.0178(2) Uani 1 d . .
H52A H 0.14642(11) 0.41723(6) 0.12275(8) 0.021 Uiso 1 calc R .
H52B H 0.21786(11) 0.42207(6) 0.21692(8) 0.021 Uiso 1 calc R .
C53 C 0.30249(11) 0.36004(6) 0.15314(8) 0.0194(2) Uani 1 d . .
H53A H 0.34302(11) 0.33055(6) 0.19865(8) 0.023 Uiso 1 calc R .
H53B H 0.27629(11) 0.33259(6) 0.10359(8) 0.023 Uiso 1 calc R .
C54 C 0.39218(13) 0.41295(8) 0.14177(10) 0.0285(3) Uani 1 d . .
H54A H 0.46026(13) 0.39086(8) 0.13102(10) 0.043 Uiso 1 calc R .
H54B H 0.41981(13) 0.43967(8) 0.19108(10) 0.043 Uiso 1 calc R .
H54C H 0.35309(13) 0.44171(8) 0.09603(10) 0.043 Uiso 1 calc R .
P60 P -0.08381(3) 0.64653(2) 0.09570(2) 0.01762(6) Uani 1 d . .
F61 F -0.04794(9) 0.58787(5) 0.04258(6) 0.0373(2) Uani 1 d . .
F62 F -0.11804(8) 0.70649(4) 0.14900(6) 0.0299(2) Uani 1 d . .
F63 F -0.05872(8) 0.59677(4) 0.17386(5) 0.0299(2) Uani 1 d . .
F64 F 0.05584(7) 0.67083(4) 0.12615(5) 0.0283(2) Uani 1 d . .
F65 F -0.10595(9) 0.69776(5) 0.01847(5) 0.0374(2) Uani 1 d . .
F66 F -0.22174(8) 0.62340(5) 0.06564(6) 0.0321(2) Uani 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'
Fe Fe 0.3463 0.8444 '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 Fe1 N14 170.31(4) . . ?
N1 Fe1 N7 82.00(4) . . ?
N14 Fe1 N7 95.44(4) . . ?
N1 Fe1 N20 95.15(4) . . ?
N14 Fe1 N20 82.06(4) . . ?
N7 Fe1 N20 148.14(4) . . ?
N1 Fe1 P30 92.49(3) . . ?
N14 Fe1 P30 97.19(3) . . ?
N7 Fe1 P30 107.58(3) . . ?
N20 Fe1 P30 104.24(3) . . ?
C31 P30 C41 106.04(5) . . ?
C31 P30 C51 103.50(5) . . ?
C41 P30 C51 106.22(5) . . ?
C31 P30 Fe1 113.03(4) . . ?
C41 P30 Fe1 113.82(4) . . ?
C51 P30 Fe1 113.38(4) . . ?
C1 N1 Fe1 117.40(7) . . ?
N1 C1 C2 126.77(10) . . ?
N1 C1 C6 112.68(9) . . ?
C2 C1 C6 120.54(10) . . ?
C3 C2 C1 118.38(10) . . ?
C2 C3 C4 121.21(11) . . ?
C5 C4 C3 121.60(10) . . ?
C4 C5 C6 118.73(10) . . ?
N7 C6 C5 127.90(10) . . ?
N7 C6 C1 112.62(9) . . ?
C5 C6 C1 119.48(10) . . ?
C6 N7 C8 116.96(9) . . ?
C6 N7 Fe1 115.26(7) . . ?
C8 N7 Fe1 127.76(7) . . ?
C9 C8 C13 119.87(10) . . ?
C9 C8 N7 119.68(10) . . ?
C13 C8 N7 120.44(10) . . ?
C8 C9 C10 119.65(11) . . ?
C11 C10 C9 120.58(11) . . ?
C10 C11 C12 119.67(11) . . ?
C11 C12 C13 120.27(11) . . ?
C12 C13 C8 119.95(11) . . ?
C14 N14 Fe1 117.28(8) . . ?
N14 C14 C15 127.48(10) . . ?
N14 C14 C19 112.63(9) . . ?
C15 C14 C19 119.89(10) . . ?
C16 C15 C14 118.81(11) . . ?
C15 C16 C17 121.39(11) . . ?
C18 C17 C16 121.03(11) . . ?
C17 C18 C19 119.13(10) . . ?
N20 C19 C18 127.89(10) . . ?
N20 C19 C14 112.48(9) . . ?
C18 C19 C14 119.61(10) . . ?
C19 N20 C21 118.72(9) . . ?
C19 N20 Fe1 115.45(7) . . ?
C21 N20 Fe1 125.65(7) . . ?
C22 C21 C26 119.91(10) . . ?
C22 C21 N20 119.65(10) . . ?
C26 C21 N20 120.36(10) . . ?
C23 C22 C21 119.81(12) . . ?
C24 C23 C22 120.37(13) . . ?
C25 C24 C23 119.84(12) . . ?
C24 C25 C26 120.40(12) . . ?
C25 C26 C21 119.63(12) . . ?
C32 C31 P30 113.63(8) . . ?
C33 C32 C31 111.92(10) . . ?
C34 C33 C32 112.42(10) . . ?
C42 C41 P30 113.89(8) . . ?
C43 C42 C41 112.92(10) . . ?
C44 C43 C42 111.71(11) . . ?
C52 C51 P30 114.65(8) . . ?
C53 C52 C51 112.14(10) . . ?
C54 C53 C52 112.64(11) . . ?
F66 P60 F61 90.54(5) . . ?
F66 P60 F63 90.57(5) . . ?
F61 P60 F63 90.28(5) . . ?
F66 P60 F62 90.33(5) . . ?
F61 P60 F62 178.97(5) . . ?
F63 P60 F62 90.24(5) . . ?
F66 P60 F64 179.41(5) . . ?
F61 P60 F64 89.91(5) . . ?
F63 P60 F64 89.80(5) . . ?
F62 P60 F64 89.21(5) . . ?
F66 P60 F65 90.84(5) . . ?
F61 P60 F65 90.31(6) . . ?
F63 P60 F65 178.47(5) . . ?
F62 P60 F65 89.14(5) . . ?
F64 P60 F65 88.79(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
Fe1 N1 1.8642(9) . ?
Fe1 N14 1.8659(9) . ?
Fe1 N7 1.9022(9) . ?
Fe1 N20 1.9030(9) . ?
Fe1 P30 2.3316(3) . ?
P30 C31 1.8237(11) . ?
P30 C41 1.8245(11) . ?
P30 C51 1.8259(11) . ?
N1 C1 1.3414(14) . ?
C1 C2 1.4182(15) . ?
C1 C6 1.4299(15) . ?
C2 C3 1.373(2) . ?
C3 C4 1.417(2) . ?
C4 C5 1.374(2) . ?
C5 C6 1.4169(15) . ?
C6 N7 1.3614(14) . ?
N7 C8 1.4368(13) . ?
C8 C9 1.390(2) . ?
C8 C13 1.393(2) . ?
C9 C10 1.393(2) . ?
C10 C11 1.386(2) . ?
C11 C12 1.386(2) . ?
C12 C13 1.391(2) . ?
N14 C14 1.3441(14) . ?
C14 C15 1.420(2) . ?
C14 C19 1.4362(15) . ?
C15 C16 1.373(2) . ?
C16 C17 1.421(2) . ?
C17 C18 1.376(2) . ?
C18 C19 1.4176(15) . ?
C19 N20 1.3593(14) . ?
N20 C21 1.4357(14) . ?
C21 C22 1.394(2) . ?
C21 C26 1.396(2) . ?
C22 C23 1.393(2) . ?
C23 C24 1.387(2) . ?
C24 C25 1.386(2) . ?
C25 C26 1.395(2) . ?
C31 C32 1.533(2) . ?
C32 C33 1.523(2) . ?
C33 C34 1.518(2) . ?
C41 C42 1.536(2) . ?
C42 C43 1.521(2) . ?
C43 C44 1.519(2) . ?
C51 C52 1.530(2) . ?
C52 C53 1.523(2) . ?
C53 C54 1.521(2) . ?
P60 F66 1.5872(9) . ?
P60 F61 1.5939(9) . ?
P60 F63 1.6054(8) . ?
P60 F62 1.6067(9) . ?
P60 F64 1.6119(8) . ?
P60 F65 1.6137(9) . ?
