#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:44:27 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179987 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/81/7028188.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7028188
loop_
_publ_author_name
'Jourdain, Isabelle V.'
'Fourmigué, Marc'
'Guyon, Fabrice'
'Amaudrut, Jacques'
_publ_contact_author             'Fabrice Guyon'
_publ_section_title
;
 Syntheses and electrochemical characterization of heteroleptic
 cyclopentadienyl--dithiolene d2 tungsten complexes. Structures and
 magnetic properties of charge-transfer salts †
;
_journal_issue                   3
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              483
_journal_paper_doi               10.1039/a706495k
_journal_year                    1998
_chemical_formula_moiety         'C21 H26 S5 W, C12 F4 N4, C2 H3 N'
_chemical_formula_sum            'C35 H29 F4 N5 S5 W'
_chemical_formula_weight         939.78
_chemical_name_common
'[(η⁵C₅H₄CMe₃)₂W(C₃S₅)][tcnqf₄], CH₃CN'
_chemical_name_systematic
; 
Bis
(η⁵-tert-butylcyclopentadienyl)(4,5-disulfanyl-1,3-dithiole-2-
thionato) tungsten (V)
tetrafluoro-7,7,8,8-tetracyanoquinodimethane salt, acetonitrile
solvate  
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 96.390(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.9560(13)
_cell_length_b                   21.020(3)
_cell_length_c                   21.722(4)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.2
_cell_measurement_theta_min      1.45
_cell_volume                     3610.1(10)
_computing_cell_refinement       'CELL (STOE)'
_computing_data_collection       'EXPOSE (STOE)'
_computing_data_reduction        'INTEGRATE (STOE)'
_computing_molecular_graphics    'ORTEP (XTAL 3.4)'
_computing_structure_refinement  'SHELXTL 5.04'
_computing_structure_solution    'SHELXTL 5.04'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'STOE IPDS'
_diffrn_measurement_method       rotation
_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  0.0815
_diffrn_reflns_av_sigmaI/netI    0.0915
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            22608
_diffrn_reflns_theta_max         24.22
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.544
_exptl_absorpt_correction_T_max  0.277
_exptl_absorpt_correction_T_min  0.203
_exptl_absorpt_correction_type   ' Multi-scan (XPREP, SHELXTL 5.04) '
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_description       parallelepipedic
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.542
_refine_diff_density_min         -1.630
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.842
_refine_ls_goodness_of_fit_obs   0.952
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     458
_refine_ls_number_reflns         5715
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.842
_refine_ls_restrained_S_obs      0.952
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_obs          0.0360
_refine_ls_shift/esd_max         0.094
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0346P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0797
_refine_ls_wR_factor_obs         0.0690
_reflns_number_observed          3538
_reflns_number_total             5715
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            k706495sup1.cif
_cod_data_source_block           buwf4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0346P)^2^+0.0000P] 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^)+(0.0346P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 2~1~/n'
_cod_database_code               7028188
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W 0.73821(4) 0.86487(2) 0.137895(14) 0.03446(10) Uani 1 d .
S1 S 0.7050(2) 0.96577(10) 0.18976(9) 0.0415(5) Uani 1 d .
S2 S 0.7271(3) 0.93269(11) 0.04645(9) 0.0466(5) Uani 1 d .
S3 S 0.8650(3) 1.09172(11) 0.16563(11) 0.0556(6) Uani 1 d .
S4 S 0.8733(3) 1.06416(11) 0.03536(10) 0.0543(6) Uani 1 d .
S5 S 0.9929(4) 1.18979(13) 0.08430(15) 0.0812(8) Uani 1 d .
C1 C 0.7937(8) 1.0175(4) 0.1405(4) 0.040(2) Uani 1 d .
C2 C 0.7981(9) 1.0042(4) 0.0789(4) 0.040(2) Uani 1 d .
C3 C 0.9121(10) 1.1192(4) 0.0943(4) 0.054(2) Uani 1 d .
C4 C 0.4479(8) 0.8671(5) 0.1545(3) 0.046(2) Uani 1 d .
H4 H 0.3992(8) 0.9023(5) 0.1716(3) 0.055 Uiso 1 calc R
C5 C 0.4537(7) 0.8558(4) 0.0905(3) 0.045(2) Uani 1 d .
H5 H 0.4084(7) 0.8821(4) 0.0585(3) 0.054 Uiso 1 calc R
C6 C 0.5409(9) 0.7970(4) 0.0830(3) 0.040(2) Uani 1 d .
C7 C 0.5837(9) 0.7729(4) 0.1441(4) 0.043(2) Uani 1 d .
H7 H 0.6394(9) 0.7347(4) 0.1540(4) 0.052 Uiso 1 calc R
C8 C 0.5278(10) 0.8165(4) 0.1875(4) 0.051(2) Uani 1 d .
H8 H 0.5420(10) 0.8120(4) 0.2304(4) 0.062 Uiso 1 calc R
C9 C 1.0258(8) 0.8846(4) 0.1304(4) 0.047(2) Uani 1 d .
H9 H 1.0586(8) 0.9188(4) 0.1074(4) 0.056 Uiso 1 calc R
C10 C 1.0119(8) 0.8847(4) 0.1947(4) 0.044(2) Uani 1 d .
H10 H 1.0364(8) 0.9192(4) 0.2209(4) 0.052 Uiso 1 calc R
C11 C 0.9547(8) 0.8242(4) 0.2134(3) 0.038(2) Uani 1 d .
C12 C 0.9400(9) 0.7847(4) 0.1586(4) 0.046(2) Uani 1 d .
H12 H 0.9094(9) 0.7420(4) 0.1568(4) 0.055 Uiso 1 calc R
C13 C 0.9809(9) 0.8228(5) 0.1072(4) 0.052(2) Uani 1 d .
H13 H 0.9783(9) 0.8095(5) 0.0663(4) 0.062 Uiso 1 calc R
C14 C 0.9546(10) 0.8026(4) 0.2792(4) 0.049(2) Uani 1 d .
C15 C 0.8663(12) 0.7381(4) 0.2848(4) 0.066(3) Uani 1 d .
H15A H 0.7473(16) 0.7428(7) 0.2724(27) 0.098 Uiso 1 calc R
H15B H 0.8838(66) 0.7238(14) 0.3270(7) 0.098 Uiso 1 calc R
H15C H 0.9127(53) 0.7075(8) 0.2586(21) 0.098 Uiso 1 calc R
C16 C 1.1457(12) 0.7940(6) 0.3023(5) 0.084(3) Uani 1 d .
H16A H 1.1574(12) 0.7775(35) 0.3438(14) 0.126 Uiso 1 calc R
H16B H 1.2020(22) 0.8344(8) 0.3018(34) 0.126 Uiso 1 calc R
H16C H 1.1956(25) 0.7648(28) 0.2756(21) 0.126 Uiso 1 calc R
C17 C 0.8768(13) 0.8516(5) 0.3190(4) 0.075(3) Uani 1 d .
H17A H 0.8831(76) 0.8365(15) 0.3609(8) 0.112 Uiso 1 calc R
H17B H 0.7606(26) 0.8584(24) 0.3032(19) 0.112 Uiso 1 calc R
H17C H 0.9377(53) 0.8910(10) 0.3180(25) 0.112 Uiso 1 calc R
C18 C 0.5411(10) 0.7609(4) 0.0231(4) 0.053(2) Uani 1 d .
C19 C 0.3809(14) 0.7195(6) 0.0177(5) 0.096(4) Uani 1 d .
H19A H 0.3778(55) 0.6933(30) -0.0186(22) 0.143 Uiso 1 calc R
H19B H 0.2827(14) 0.7464(6) 0.0146(39) 0.143 Uiso 1 calc R
H19C H 0.3821(53) 0.6931(29) 0.0538(19) 0.143 Uiso 1 calc R
C20 C 0.5336(12) 0.8049(5) -0.0330(4) 0.070(3) Uani 1 d .
H20A H 0.5270(82) 0.7799(5) -0.0702(4) 0.104 Uiso 1 calc R
H20B H 0.6334(40) 0.8309(22) -0.0301(15) 0.104 Uiso 1 calc R
H20C H 0.4355(46) 0.8317(21) -0.0340(17) 0.104 Uiso 1 calc R
C21 C 0.6955(13) 0.7183(5) 0.0221(5) 0.081(3) Uani 1 d .
H21A H 0.6809(43) 0.6913(25) -0.0137(19) 0.121 Uiso 1 calc R
H21B H 0.7084(54) 0.6925(25) 0.0589(17) 0.121 Uiso 1 calc R
H21C H 0.7945(19) 0.7441(5) 0.0207(34) 0.121 Uiso 1 calc R
C22 C 0.2195(11) 0.6277(5) 0.1421(4) 0.057(2) Uani 1 d .
C23 C 0.3663(11) 0.5320(5) 0.1615(5) 0.059(2) Uani 1 d .
C24 C 0.2632(9) 0.5686(4) 0.1169(4) 0.047(2) Uani 1 d .
C25 C 0.2253(8) 0.5502(4) 0.0549(4) 0.040(2) Uani 1 d .
C26 C 0.1128(9) 0.5850(4) 0.0113(4) 0.045(2) Uani 1 d .
C27 C 0.0760(10) 0.5678(4) -0.0487(4) 0.047(2) Uani 1 d .
C28 C 0.1461(9) 0.5137(4) -0.0758(4) 0.042(2) Uani 1 d .
C29 C 1.0011(12) 0.4678(5) 0.1809(4) 0.057(2) Uani 1 d .
C30 C 0.8380(12) 0.5629(6) 0.1610(4) 0.068(3) Uani 1 d .
C31 C 0.2591(10) 0.4804(4) -0.0317(4) 0.049(2) Uani 1 d .
C32 C 0.2932(9) 0.4968(4) 0.0274(4) 0.046(2) Uani 1 d .
C33 C 0.8971(11) 0.5049(5) 0.1367(4) 0.054(2) Uani 1 d .
F1 F 0.0335(5) 0.6360(3) 0.0323(2) 0.0626(13) Uani 1 d .
F2 F -0.0364(6) 0.6041(3) -0.0836(2) 0.0681(14) Uani 1 d .
F3 F 0.3414(6) 0.4301(2) -0.0523(2) 0.0680(14) Uani 1 d .
F4 F 0.4050(6) 0.4603(2) 0.0641(2) 0.0611(13) Uani 1 d .
N1 N 0.1945(12) 0.6745(5) 0.1657(4) 0.086(3) Uani 1 d .
N2 N 0.4452(11) 0.5064(4) 0.2019(4) 0.084(3) Uani 1 d .
N3 N 0.7983(12) 0.6102(5) 0.1815(4) 0.091(3) Uani 1 d .
N4 N 1.0824(12) 0.4395(5) 0.2181(4) 0.079(3) Uani 1 d .
N5 N 0.2708(11) 0.0069(4) 0.1041(4) 0.083(3) Uani 1 d .
C34 C 0.3066(11) 0.0451(5) 0.1403(5) 0.064(3) Uani 1 d .
C35 C 0.3512(14) 0.0927(6) 0.1872(5) 0.094(4) Uani 1 d .
H35A H 0.2803(69) 0.0881(24) 0.2200(18) 0.141 Uiso 1 calc R
H35B H 0.3353(95) 0.1343(6) 0.1693(10) 0.141 Uiso 1 calc R
H35C H 0.4674(32) 0.0875(24) 0.2037(27) 0.141 Uiso 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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
C13 W1 C7 99.6(3) .
C13 W1 C8 129.8(3) .
C7 W1 C8 35.8(3) .
C13 W1 C12 36.3(3) .
C7 W1 C12 75.1(3) .
C8 W1 C12 96.3(3) .
C13 W1 C6 99.0(3) .
C7 W1 C6 35.7(3) .
C8 W1 C6 59.6(3) .
C12 W1 C6 93.8(3) .
C13 W1 C9 35.7(3) .
C7 W1 C9 133.0(3) .
C8 W1 C9 150.1(3) .
C12 W1 C9 59.1(3) .
C6 W1 C9 132.4(3) .
C13 W1 C4 156.5(3) .
C7 W1 C4 58.3(3) .
C8 W1 C4 34.5(3) .
C12 W1 C4 130.1(3) .
C6 W1 C4 58.9(3) .
C9 W1 C4 167.8(3) .
C13 W1 C5 129.3(3) .
C7 W1 C5 58.1(3) .
C8 W1 C5 57.8(3) .
C12 W1 C5 128.6(3) .
C6 W1 C5 35.3(3) .
C9 W1 C5 150.3(3) .
C4 W1 C5 34.6(2) .
C13 W1 C11 59.8(3) .
C7 W1 C11 90.5(3) .
C8 W1 C11 91.5(3) .
C12 W1 C11 35.5(3) .
C6 W1 C11 121.3(3) .
C9 W1 C11 58.6(3) .
C4 W1 C11 122.6(3) .
C5 W1 C11 147.1(3) .
C13 W1 C10 58.3(3) .
C7 W1 C10 124.9(3) .
C8 W1 C10 119.6(3) .
C12 W1 C10 57.7(3) .
C6 W1 C10 151.4(3) .
C9 W1 C10 34.4(3) .
C4 W1 C10 139.0(3) .
C5 W1 C10 172.3(3) .
C11 W1 C10 34.4(2) .
C13 W1 S1 127.6(2) .
C7 W1 S1 128.3(2) .
C8 W1 S1 92.6(2) .
C12 W1 S1 130.4(2) .
C6 W1 S1 131.7(2) .
C9 W1 S1 92.0(2) .
C4 W1 S1 75.8(2) .
C5 W1 S1 97.1(2) .
C11 W1 S1 95.8(2) .
C10 W1 S1 75.6(2) .
C13 W1 S2 86.8(2) .
C7 W1 S2 124.6(2) .
C8 W1 S2 132.1(2) .
C12 W1 S2 122.7(2) .
C6 W1 S2 88.9(2) .
C9 W1 S2 77.8(2) .
C4 W1 S2 99.5(2) .
C5 W1 S2 75.5(2) .
C11 W1 S2 136.3(2) .
C10 W1 S2 105.3(2) .
S1 W1 S2 82.61(7) .
C1 S1 W1 100.9(3) .
C2 S2 W1 101.3(3) .
C1 S3 C3 96.6(4) .
C2 S4 C3 97.4(4) .
C2 C1 S3 116.7(6) .
C2 C1 S1 122.2(6) .
S3 C1 S1 121.0(5) .
C1 C2 S4 115.8(6) .
C1 C2 S2 122.1(6) .
S4 C2 S2 122.1(5) .
S5 C3 S4 123.2(5) .
S5 C3 S3 123.1(5) .
S4 C3 S3 113.6(5) .
C8 C4 C5 108.2(8) .
C8 C4 W1 70.6(4) .
C5 C4 W1 73.1(4) .
C4 C5 C6 109.0(7) .
C4 C5 W1 72.3(3) .
C6 C5 W1 70.8(4) .
C7 C6 C5 105.5(7) .
C7 C6 C18 127.1(7) .
C5 C6 C18 125.4(7) .
C7 C6 W1 70.5(4) .
C5 C6 W1 73.9(4) .
C18 C6 W1 132.8(5) .
C8 C7 C6 109.2(7) .
C8 C7 W1 72.9(4) .
C6 C7 W1 73.8(4) .
C4 C8 C7 108.0(7) .
C4 C8 W1 74.9(4) .
C7 C8 W1 71.3(4) .
C10 C9 C13 107.9(7) .
C10 C9 W1 75.4(4) .
C13 C9 W1 69.8(4) .
C9 C10 C11 110.0(7) .
C9 C10 W1 70.1(4) .
C11 C10 W1 72.2(4) .
C10 C11 C12 106.1(7) .
C10 C11 C14 125.2(7) .
C12 C11 C14 127.0(7) .
C10 C11 W1 73.4(4) .
C12 C11 W1 69.8(4) .
C14 C11 W1 133.0(5) .
C13 C12 C11 108.3(7) .
C13 C12 W1 70.1(4) .
C11 C12 W1 74.7(4) .
C9 C13 C12 107.6(7) .
C9 C13 W1 74.4(4) .
C12 C13 W1 73.7(4) .
C11 C14 C17 112.3(7) .
C11 C14 C15 113.1(7) .
C17 C14 C15 109.5(8) .
C11 C14 C16 103.8(7) .
C17 C14 C16 109.8(8) .
C15 C14 C16 108.1(7) .
C6 C18 C21 112.7(7) .
C6 C18 C20 112.4(7) .
C21 C18 C20 107.9(8) .
C6 C18 C19 105.6(7) .
C21 C18 C19 109.2(8) .
C20 C18 C19 108.9(8) .
N1 C22 C24 174.8(10) .
N2 C23 C24 173.3(10) .
C25 C24 C22 125.3(7) .
C25 C24 C23 123.4(8) .
C22 C24 C23 111.0(8) .
C24 C25 C32 125.3(7) .
C24 C25 C26 123.2(7) .
C32 C25 C26 111.6(7) .
F1 C26 C27 118.6(7) .
F1 C26 C25 117.6(7) .
C27 C26 C25 123.7(8) .
F2 C27 C26 116.8(7) .
F2 C27 C28 119.2(7) .
C26 C27 C28 124.0(7) .
C33 C28 C31 125.1(8) 3_665
C33 C28 C27 123.6(8) 3_665
C31 C28 C27 111.2(7) .
N4 C29 C33 177.4(10) .
N3 C30 C33 176.7(11) .
C32 C31 F3 118.2(8) .
C32 C31 C28 124.7(8) .
F3 C31 C28 117.1(7) .
C31 C32 F4 117.9(7) .
C31 C32 C25 124.9(7) .
F4 C32 C25 117.3(7) .
C28 C33 C30 122.4(9) 3_665
C28 C33 C29 123.5(9) 3_665
C30 C33 C29 114.1(8) .
N5 C34 C35 178.9(12) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 C13 2.289(7) .
W1 C7 2.303(7) .
W1 C8 2.324(7) .
W1 C12 2.336(7) .
W1 C6 2.347(7) .
W1 C9 2.349(6) .
W1 C4 2.378(6) .
W1 C5 2.388(6) .
W1 C11 2.400(6) .
W1 C10 2.416(6) .
W1 S1 2.430(2) .
W1 S2 2.439(2) .
S1 C1 1.729(8) .
S2 C2 1.727(8) .
S3 C1 1.728(8) .
S3 C3 1.734(9) .
S4 C2 1.722(8) .
S4 C3 1.727(9) .
S5 C3 1.641(8) .
C1 C2 1.372(10) .
C4 C8 1.397(12) .
C4 C5 1.417(10) .
C5 C6 1.435(11) .
C6 C7 1.426(10) .
C6 C18 1.506(11) .
C7 C8 1.421(11) .
C9 C10 1.412(11) .
C9 C13 1.423(12) .
C10 C11 1.425(10) .
C11 C12 1.444(11) .
C11 C14 1.500(11) .
C12 C13 1.440(11) .
C14 C17 1.521(12) .
C14 C15 1.537(12) .
C14 C16 1.558(11) .
C18 C21 1.522(12) .
C18 C20 1.525(12) .
C18 C19 1.538(12) .
C22 N1 1.136(11) .
C22 C24 1.417(13) .
C23 N2 1.154(11) .
C23 C24 1.423(12) .
C24 C25 1.400(11) .
C25 C32 1.406(11) .
C25 C26 1.431(10) .
C26 F1 1.349(9) .
C26 C27 1.352(11) .
C27 F2 1.344(8) .
C27 C28 1.423(11) .
C28 C33 1.386(11) 3_665
C28 C31 1.423(11) .
C29 N4 1.145(11) .
C29 C33 1.426(13) .
C30 N3 1.148(12) .
C30 C33 1.428(15) .
C31 C32 1.328(11) .
C31 F3 1.345(9) .
C32 F4 1.363(8) .
C33 C28 1.386(11) 3_665
N5 C34 1.138(12) .
C34 C35 1.444(14) .
