#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:38:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179254 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/74/4317455.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_4317455
loop_
_publ_author_name
'F. Albert Cotton'
'Lee M. Daniels'
'Penglin Huang'
'Carlos A. Murillo'
_publ_section_title
;
 The First Oxidation of a Cr24+ Paddlewheel Complex to an Isostructural
 Stable Product
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              317
_journal_page_last               320
_journal_paper_doi               10.1021/ic010925v
_journal_volume                  41
_journal_year                    2002
_chemical_compound_source        synthesis
_chemical_formula_moiety         Cr2(N3C17H18)4,PF6,(CH2Cl2)4
_chemical_formula_sum            'C72 H80 Cl8 Cr2 F6 N12 P'
_chemical_formula_weight         1646.05
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 116.2980(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.8315(13)
_cell_length_b                   15.7262(9)
_cell_length_c                   23.8159(14)
_cell_measurement_reflns_used    7367
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.15
_cell_volume                     7666.1(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker XP'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            19682
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    0.648
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_correction_T_min  0.657
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3396
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.527
_refine_diff_density_min         -0.778
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.028
_refine_ls_goodness_of_fit_obs   1.097
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         6595
_refine_ls_number_restraints     238
_refine_ls_restrained_S_all      1.022
_refine_ls_restrained_S_obs      1.075
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_obs          0.0557
_refine_ls_shift/esd_max         0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0820P)²+18.0P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1570
_refine_ls_wR_factor_obs         0.1442
_reflns_number_observed          5182
_reflns_number_total             6746
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic010925v_2.cif
_cod_data_source_block           str3221
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0820P)^2^+18.0P] 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^)+(0.0820P)^2^+18.0P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4317455
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Cr1 Cr 0.00554(2) -0.09899(3) 0.29248(2) 0.01911(15) Uani 1 d . .
N1 N 0.08024(11) -0.0154(2) 0.32401(11) 0.0220(5) Uani 1 d . .
N2 N 0.13644(12) 0.0888(2) 0.29543(12) 0.0272(6) Uani 1 d . .
N10 N 0.05649(11) -0.0011(2) 0.22026(11) 0.0216(5) Uani 1 d . .
N4 N 0.07081(12) -0.1953(2) 0.32115(12) 0.0239(6) Uani 1 d . .
N5 N 0.14048(13) -0.2820(2) 0.29515(13) 0.0332(7) Uani 1 d . .
N7 N 0.06692(12) -0.1828(2) 0.22362(12) 0.0239(6) Uani 1 d . .
C1 C 0.09202(14) 0.0250(2) 0.27997(14) 0.0227(6) Uani 1 d . .
C2 C 0.1930(2) -0.0508(2) 0.3965(2) 0.0339(8) Uani 1 d . .
H18A H 0.2007(2) -0.0659(2) 0.3626(2) 0.041 Uiso 1 calc R .
C3 C 0.2427(2) -0.0581(3) 0.4569(2) 0.0459(10) Uani 1 d . .
H3A H 0.2835(2) -0.0781(3) 0.4635(2) 0.055 Uiso 1 calc R .
C4 C 0.2315(2) -0.0358(3) 0.5076(2) 0.0480(10) Uani 1 d . .
H21A H 0.2649(2) -0.0399(3) 0.5481(2) 0.058 Uiso 1 calc R .
C5 C 0.1707(2) -0.0075(3) 0.4977(2) 0.0409(9) Uani 1 d . .
H23A H 0.1630(2) 0.0064(3) 0.5319(2) 0.049 Uiso 1 calc R .
C6 C 0.1205(2) 0.0008(2) 0.43732(15) 0.0312(7) Uani 1 d . .
H17A H 0.0797(2) 0.0206(2) 0.43118(15) 0.037 Uiso 1 calc R .
C7 C 0.13160(14) -0.0206(2) 0.38636(14) 0.0262(7) Uani 1 d . .
C8 C 0.1502(2) 0.1498(2) 0.3472(2) 0.0374(8) Uani 1 d . .
H56A H 0.1773(2) 0.1242(2) 0.3875(2) 0.045 Uiso 1 calc R .
H56B H 0.1101(2) 0.1703(2) 0.3471(2) 0.045 Uiso 1 calc R .
C9 C 0.1858(2) 0.2202(3) 0.3325(2) 0.0503(10) Uani 1 d . .
H50A H 0.2144(2) 0.2507(3) 0.3701(2) 0.060 Uiso 1 calc R .
H50B H 0.1554(2) 0.2599(3) 0.3026(2) 0.060 Uiso 1 calc R .
C10 C 0.2248(2) 0.1728(3) 0.3045(2) 0.0514(11) Uani 1 d . .
H52A H 0.2380(2) 0.2108(3) 0.2801(2) 0.062 Uiso 1 calc R .
H52B H 0.2634(2) 0.1466(3) 0.3371(2) 0.062 Uiso 1 calc R .
C11 C 0.1780(2) 0.1068(3) 0.2637(2) 0.0377(8) Uani 1 d . .
H53A H 0.1521(2) 0.1285(3) 0.2218(2) 0.045 Uiso 1 calc R .
H53B H 0.2010(2) 0.0562(3) 0.2613(2) 0.045 Uiso 1 calc R .
C12 C 0.0229(2) 0.1386(2) 0.1701(2) 0.0315(7) Uani 1 d . .
H15A H 0.0148(2) 0.1568(2) 0.2031(2) 0.038 Uiso 1 calc R .
C13 C 0.0122(2) 0.1928(2) 0.1209(2) 0.0402(9) Uani 1 d . .
H12A H -0.0024(2) 0.2479(2) 0.1215(2) 0.048 Uiso 1 calc R .
C14 C 0.0226(2) 0.1664(3) 0.0709(2) 0.0433(9) Uani 1 d . .
H11A H 0.0150(2) 0.2034(3) 0.0379(2) 0.052 Uiso 1 calc R .
C15 C 0.0445(2) 0.0854(3) 0.0700(2) 0.0401(9) Uani 1 d . .
H7A H 0.0517(2) 0.0676(3) 0.0363(2) 0.048 Uiso 1 calc R .
C16 C 0.0560(2) 0.0292(2) 0.1196(2) 0.0324(8) Uani 1 d . .
H13A H 0.0703(2) -0.0260(2) 0.1187(2) 0.039 Uiso 1 calc R .
C17 C 0.04585(14) 0.0566(2) 0.17008(14) 0.0245(7) Uani 1 d . .
C18 C 0.09388(15) -0.2211(2) 0.28064(15) 0.0257(7) Uani 1 d . .
C19 C 0.1657(2) -0.1376(2) 0.2161(2) 0.0295(7) Uani 1 d . .
H24A H 0.1838(2) -0.1209(2) 0.2578(2) 0.035 Uiso 1 calc R .
C20 C 0.2003(2) -0.1247(2) 0.1811(2) 0.0377(8) Uani 1 d . .
H6A H 0.2412(2) -0.0990(2) 0.1994(2) 0.045 Uiso 1 calc R .
C21 C 0.1737(2) -0.1500(2) 0.1191(2) 0.0396(9) Uani 1 d . .
H22A H 0.1967(2) -0.1414(2) 0.0957(2) 0.048 Uiso 1 calc R .
C22 C 0.1134(2) -0.1876(3) 0.0925(2) 0.0412(9) Uani 1 d . .
H4A H 0.0958(2) -0.2047(3) 0.0508(2) 0.049 Uiso 1 calc R .
C23 C 0.0778(2) -0.2009(2) 0.1267(2) 0.0362(8) Uani 1 d . .
H20A H 0.0369(2) -0.2266(2) 0.1081(2) 0.043 Uiso 1 calc R .
C24 C 0.10458(15) -0.1751(2) 0.18917(14) 0.0252(7) Uani 1 d . .
C25 C 0.1405(2) -0.3464(2) 0.2502(2) 0.0419(9) Uani 1 d . .
H54A H 0.1525(2) -0.3215(2) 0.2195(2) 0.050 Uiso 1 calc R .
H54B H 0.0980(2) -0.3732(2) 0.2287(2) 0.050 Uiso 1 calc R .
C26 C 0.1919(2) -0.4097(3) 0.2921(2) 0.0589(13) Uani 1 d . .
H55A H 0.2129(2) -0.4379(3) 0.2696(2) 0.071 Uiso 1 calc R .
H55B H 0.1730(2) -0.4522(3) 0.3087(2) 0.071 Uiso 1 calc R .
C27 C 0.2399(2) -0.3529(3) 0.3441(2) 0.0548(12) Uani 1 d . .
H51A H 0.2676(2) -0.3859(3) 0.3807(2) 0.066 Uiso 1 calc R .
H51B H 0.2672(2) -0.3207(3) 0.3299(2) 0.066 Uiso 1 calc R .
C28 C 0.1947(2) -0.2948(3) 0.3578(2) 0.0446(10) Uani 1 d . .
H57A H 0.1798(2) -0.3219(3) 0.3858(2) 0.053 Uiso 1 calc R .
H57B H 0.2159(2) -0.2415(3) 0.3760(2) 0.053 Uiso 1 calc R .
C29 C 0.0486(2) -0.3341(2) 0.3542(2) 0.0342(8) Uani 1 d . .
H19A H 0.0308(2) -0.3525(2) 0.3129(2) 0.041 Uiso 1 calc R .
C30 C 0.0499(2) -0.3882(2) 0.4011(2) 0.0437(9) Uani 1 d . .
H9A H 0.0332(2) -0.4431(2) 0.3910(2) 0.052 Uiso 1 calc R .
C31 C 0.0759(2) -0.3606(3) 0.4625(2) 0.0452(10) Uani 1 d . .
H2A H 0.0765(2) -0.3968(3) 0.4937(2) 0.054 Uiso 1 calc R .
C32 C 0.1007(2) -0.2797(3) 0.4775(2) 0.0419(9) Uani 1 d . .
H1A H 0.1181(2) -0.2612(3) 0.5188(2) 0.050 Uiso 1 calc R .
C33 C 0.1000(2) -0.2250(2) 0.4310(2) 0.0338(8) Uani 1 d . .
H10B H 0.1170(2) -0.1704(2) 0.4413(2) 0.041 Uiso 1 calc R .
C34 C 0.07399(15) -0.2527(2) 0.36942(15) 0.0271(7) Uani 1 d . .
P1 P 0.0000 0.40811(10) 0.2500 0.0505(4) Uani 1 d SD .
F1 F 0.0077(3) 0.4079(2) 0.3177(2) 0.104(4) Uani 0.71(2) d PD 1
F2 F -0.0725(2) 0.3845(7) 0.2256(3) 0.119(8) Uani 0.355(9) d PD -1
F3 F 0.0725(2) 0.4316(7) 0.2744(3) 0.116(8) Uani 0.355(9) d PD -1
F4 F -0.0180(5) 0.5028(3) 0.2440(2) 0.164(11) Uani 0.355(9) d PD -1
F5 F 0.0180(5) 0.3132(3) 0.2561(2) 0.156(10) Uani 0.355(9) d PD -1
F11 F -0.0159(9) 0.4775(3) 0.2868(6) 0.136(12) Uani 0.29(2) d PD 2
F12 F -0.0159(9) 0.3392(3) 0.2869(6) 0.193(16) Uani 0.29(2) d PD 2
F13 F 0.0717(4) 0.4084(3) 0.2997(9) 0.241(23) Uani 0.29(2) d PD 2
C35 C 0.1224(3) 0.3874(5) 0.4566(4) 0.142(4) Uani 1 d . .
H40A H 0.1464(3) 0.4403(5) 0.4705(4) 0.170 Uiso 1 calc R .
H40B H 0.1028(3) 0.3870(5) 0.4112(4) 0.170 Uiso 1 calc R .
Cl1 Cl 0.17766(13) 0.3043(2) 0.48376(12) 0.1523(10) Uani 1 d . .
Cl2 Cl 0.06230(10) 0.38705(11) 0.47881(9) 0.1038(6) Uani 1 d . .
C36 C 0.1135(3) 0.5876(5) 0.6538(3) 0.100(2) Uani 1 d . .
H41A H 0.1196(3) 0.5777(5) 0.6962(3) 0.120 Uiso 1 calc R .
H41B H 0.0694(3) 0.6086(5) 0.6296(3) 0.120 Uiso 1 calc R .
Cl3 Cl 0.1215(2) 0.49410(14) 0.62276(11) 0.1511(10) Uani 1 d . .
Cl4 Cl 0.16710(10) 0.66364(14) 0.65522(9) 0.1177(7) 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'
P P 0.1023 0.0942 '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'
Cr Cr 0.3209 0.6236 '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'
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
Cr1 Cr1 N7 94.91(7) 2 2 y
Cr1 Cr1 N1 94.99(7) 2 . y
N7 Cr1 N1 170.11(10) 2 . y
Cr1 Cr1 N4 95.11(7) 2 . y
N7 Cr1 N4 89.68(11) 2 . y
N1 Cr1 N4 89.28(10) . . y
Cr1 Cr1 N10 94.88(7) 2 2 y
N7 Cr1 N10 90.44(10) 2 2 y
N1 Cr1 N10 88.88(10) . 2 y
N4 Cr1 N10 169.96(10) . 2 y
C1 N1 C7 118.7(2) . . ?
C1 N1 Cr1 116.4(2) . . ?
C7 N1 Cr1 121.2(2) . . ?
C1 N2 C11 125.1(3) . . ?
C1 N2 C8 124.2(3) . . ?
C11 N2 C8 110.6(3) . . ?
C1 N10 C17 119.0(3) . . ?
C1 N10 Cr1 116.4(2) . 2 ?
C17 N10 Cr1 120.5(2) . 2 ?
C18 N4 C34 119.0(3) . . ?
C18 N4 Cr1 116.5(2) . . ?
C34 N4 Cr1 120.6(2) . . ?
C18 N5 C28 124.6(3) . . ?
C18 N5 C25 123.5(3) . . ?
C28 N5 C25 111.8(3) . . ?
C18 N7 C24 119.3(2) . . ?
C18 N7 Cr1 116.8(2) . 2 ?
C24 N7 Cr1 119.1(2) . 2 ?
N1 C1 N10 116.1(3) . . ?
N1 C1 N2 121.3(3) . . ?
N10 C1 N2 122.6(3) . . ?
C3 C2 C7 120.3(3) . . ?
C4 C3 C2 120.1(3) . . ?
C5 C4 C3 119.7(3) . . ?
C4 C5 C6 120.9(3) . . ?
C7 C6 C5 119.7(3) . . ?
C6 C7 C2 119.4(3) . . ?
C6 C7 N1 120.7(3) . . ?
C2 C7 N1 119.9(3) . . ?
N2 C8 C9 102.7(3) . . ?
C8 C9 C10 102.9(3) . . ?
C11 C10 C9 103.6(3) . . ?
N2 C11 C10 103.7(3) . . ?
C13 C12 C17 119.9(3) . . ?
C14 C13 C12 120.9(4) . . ?
C15 C14 C13 119.8(3) . . ?
C14 C15 C16 120.3(3) . . ?
C17 C16 C15 119.5(3) . . ?
C16 C17 C12 119.6(3) . . ?
C16 C17 N10 119.6(3) . . ?
C12 C17 N10 120.8(3) . . ?
N4 C18 N5 122.7(3) . . ?
N4 C18 N7 115.7(3) . . ?
N5 C18 N7 121.6(3) . . ?
C24 C19 C20 120.5(3) . . ?
C21 C20 C19 120.0(3) . . ?
C22 C21 C20 119.6(3) . . ?
C21 C22 C23 121.3(3) . . ?
C24 C23 C22 119.0(3) . . ?
C19 C24 C23 119.6(3) . . ?
C19 C24 N7 120.6(3) . . ?
C23 C24 N7 119.7(3) . . ?
N5 C25 C26 102.8(3) . . ?
C25 C26 C27 102.5(3) . . ?
C28 C27 C26 102.3(3) . . ?
N5 C28 C27 102.2(3) . . ?
C34 C29 C30 119.8(3) . . ?
C31 C30 C29 120.2(4) . . ?
C32 C31 C30 120.0(3) . . ?
C31 C32 C33 120.4(4) . . ?
C34 C33 C32 119.7(4) . . ?
C29 C34 C33 120.0(3) . . ?
C29 C34 N4 120.3(3) . . ?
C33 C34 N4 119.7(3) . . ?
F4 P1 F3 90.1(2) . . ?
F4 P1 F2 90.0(2) . . ?
F3 P1 F2 179.9(2) . . ?
F4 P1 F5 179.9(3) . . ?
F3 P1 F5 90.0(2) . . ?
F2 P1 F5 89.9(2) . . ?
F12 P1 F12 90.2(3) 2 . ?
F12 P1 F13 90.1(2) . . ?
F13 P1 F13 179.7(3) . 2 ?
Cl2 C35 Cl1 116.3(5) . . ?
Cl3 C36 Cl4 113.9(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
Cr1 Cr1 1.9249(9) 2 y
Cr1 N7 2.014(3) 2 y
Cr1 N1 2.017(2) . y
Cr1 N4 2.020(3) . y
Cr1 N10 2.021(2) 2 y
N1 C1 1.351(4) . ?
N1 C7 1.430(4) . ?
N2 C1 1.356(4) . ?
N2 C11 1.479(4) . ?
N2 C8 1.482(4) . ?
N10 C1 1.352(4) . ?
N10 C17 1.433(4) . ?
N10 Cr1 2.021(2) 2 ?
N4 C18 1.350(4) . ?
N4 C34 1.438(4) . ?
N5 C18 1.358(4) . ?
N5 C28 1.470(5) . ?
N5 C25 1.473(5) . ?
N7 C18 1.358(4) . ?
N7 C24 1.432(4) . ?
N7 Cr1 2.014(3) 2 ?
C2 C3 1.387(5) . ?
C2 C7 1.396(4) . ?
C3 C4 1.384(6) . ?
C4 C5 1.375(6) . ?
C5 C6 1.393(5) . ?
C6 C7 1.387(4) . ?
C8 C9 1.503(5) . ?
C9 C10 1.522(6) . ?
C10 C11 1.498(5) . ?
C12 C13 1.379(5) . ?
C12 C17 1.393(5) . ?
C13 C14 1.378(5) . ?
C14 C15 1.372(6) . ?
C15 C16 1.405(5) . ?
C16 C17 1.388(4) . ?
C19 C24 1.383(5) . ?
C19 C20 1.394(5) . ?
C20 C21 1.382(5) . ?
C21 C22 1.369(5) . ?
C22 C23 1.399(5) . ?
C23 C24 1.394(5) . ?
C25 C26 1.526(5) . ?
C26 C27 1.527(7) . ?
C27 C28 1.519(5) . ?
C29 C34 1.385(5) . ?
C29 C30 1.394(5) . ?
C30 C31 1.383(6) . ?
C31 C32 1.374(6) . ?
C32 C33 1.397(5) . ?
C33 C34 1.386(5) . ?
P1 F4 1.535(4) . ?
P1 F3 1.536(4) . ?
P1 F2 1.537(4) . ?
P1 F5 1.538(4) . ?
P1 F12 1.535(4) . ?
P1 F13 1.538(4) . ?
C35 Cl2 1.675(9) . ?
C35 Cl1 1.730(8) . ?
C36 Cl3 1.691(7) . ?
C36 Cl4 1.700(7) . ?
