#------------------------------------------------------------------------------
#$Date: 2016-03-26 12:50:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180216 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/02/7110260.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_7110260
loop_
_publ_author_name
'S. Gondzik'
'S. Schulz'
'D. Blaser'
'C. Wolper'
'R. Haack'
'G. Jansena'
_publ_section_title
;
 Reactions of a Zn(I) complex with group 14 azides -- formation of zinc
 azide and zinc hexazene complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              927
_journal_paper_doi               10.1039/c3cc47687a
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C64 H72 F N10 Zn2'
_chemical_formula_weight         1131.05
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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-2012
_cell_angle_alpha                90
_cell_angle_beta                 104.691(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.8569(9)
_cell_length_b                   17.7885(13)
_cell_length_c                   13.5948(10)
_cell_measurement_reflns_used    9552
_cell_measurement_temperature    180(1)
_cell_measurement_theta_max      32.46
_cell_measurement_theta_min      2.52
_cell_volume                     3007.6(4)
_computing_cell_refinement       'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_computing_data_collection       'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_computing_data_reduction        'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_computing_molecular_graphics    'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
_computing_publication_material  'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_structure_solution    'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_diffrn_ambient_temperature      180(1)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
; 
 Bruker D8 KAPPA series II with APEX II area detector system
;
_diffrn_measurement_method
;
 Data collection strategy APEX 2/COSMO
;
_diffrn_radiation_monochromator  'Triumph Goebel mirror'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            55228
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.260
_diffrn_reflns_theta_min         1.926
_exptl_absorpt_coefficient_mu    0.848
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 BRUKER AXS SMART APEX 2 Vers. 3.0-2009
 R.H. Blessing, Acta Cryst. (1995) A51 33-38 
;
_exptl_crystal_colour            'pale orange'
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1190
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.395
_refine_diff_density_min         -0.282
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         11500
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0395
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0612P)²+0.9651P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1043
_refine_ls_wR_factor_ref         0.1178
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8564
_reflns_number_total             11500
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c3cc47687a.txt
_cod_data_source_block           sg_510_0m
_cod_database_code               7110260
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.816
_shelx_estimated_absorpt_t_max   0.959
_shelxl_version_number           2012-9
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Zn1 Zn 0.07975(2) 0.11798(2) 0.54517(2) 0.02396(5) Uani 1 1 d . . .
N1 N 0.05808(10) 0.16681(7) 0.66701(9) 0.0279(2) Uani 1 1 d . . .
N2 N 0.10513(9) 0.20605(7) 0.47083(9) 0.0254(2) Uani 1 1 d . . .
N3 N 0.17725(9) 0.02776(7) 0.55791(9) 0.0254(2) Uani 1 1 d . . .
N4 N 0.12857(9) -0.03654(7) 0.53441(9) 0.0268(2) Uani 1 1 d . . .
N5 N 0.02414(9) -0.03561(7) 0.50352(10) 0.0264(2) Uani 1 1 d . . .
C1 C 0.08374(17) 0.27154(12) 0.78726(15) 0.0484(5) Uani 1 1 d . . .
H1A H 0.0082 0.2827 0.7835 0.073 Uiso 1 1 calc R U .
H1B H 0.1256 0.3182 0.7988 0.073 Uiso 1 1 calc R U .
H1C H 0.1118 0.2366 0.8435 0.073 Uiso 1 1 calc R U .
C2 C 0.09244(12) 0.23624(9) 0.68861(12) 0.0308(3) Uani 1 1 d . . .
C3 C 0.13668(12) 0.28120(9) 0.62411(12) 0.0322(3) Uani 1 1 d . . .
H3 H 0.1734 0.3251 0.6543 0.039 Uiso 1 1 calc R U .
C4 C 0.13385(11) 0.26987(8) 0.52101(12) 0.0282(3) Uani 1 1 d . . .
C5 C 0.16314(15) 0.33654(9) 0.46486(14) 0.0400(4) Uani 1 1 d . . .
H5A H 0.2210 0.3224 0.4334 0.060 Uiso 1 1 calc R U .
H5B H 0.1874 0.3780 0.5127 0.060 Uiso 1 1 calc R U .
H5C H 0.1000 0.3526 0.4120 0.060 Uiso 1 1 calc R U .
C11 C -0.00692(12) 0.12941(9) 0.72392(12) 0.0299(3) Uani 1 1 d . . .
C12 C 0.03710(13) 0.07301(11) 0.79288(12) 0.0371(3) Uani 1 1 d . . .
C13 C -0.03040(16) 0.03367(11) 0.84060(14) 0.0427(4) Uani 1 1 d . . .
H13 H -0.0009 -0.0053 0.8870 0.051 Uiso 1 1 calc R U .
C14 C -0.13907(15) 0.04983(10) 0.82228(14) 0.0408(4) Uani 1 1 d . . .
C15 C -0.18092(14) 0.10577(10) 0.75333(15) 0.0391(4) Uani 1 1 d . . .
H15 H -0.2553 0.1175 0.7404 0.047 Uiso 1 1 calc R U .
C16 C -0.11725(12) 0.14573(10) 0.70201(13) 0.0334(3) Uani 1 1 d . . .
C17 C 0.15488(16) 0.05430(15) 0.81556(16) 0.0561(6) Uani 1 1 d . . .
H17A H 0.1735 0.0403 0.7524 0.084 Uiso 1 1 calc R U .
H17B H 0.1706 0.0122 0.8635 0.084 Uiso 1 1 calc R U .
H17C H 0.1972 0.0982 0.8455 0.084 Uiso 1 1 calc R U .
C18 C -0.20992(19) 0.00617(13) 0.8754(2) 0.0572(6) Uani 1 1 d . . .
H18A H -0.2785 0.0325 0.8671 0.086 Uiso 1 1 calc R U .
H18B H -0.1740 0.0019 0.9480 0.086 Uiso 1 1 calc R U .
H18C H -0.2231 -0.0442 0.8456 0.086 Uiso 1 1 calc R U .
C19 C -0.16714(15) 0.20230(12) 0.62182(16) 0.0456(4) Uani 1 1 d . . .
H19A H -0.1349 0.2518 0.6412 0.068 Uiso 1 1 calc R U .
H19B H -0.2447 0.2049 0.6154 0.068 Uiso 1 1 calc R U .
H19C H -0.1543 0.1871 0.5566 0.068 Uiso 1 1 calc R U .
C21 C 0.08513(11) 0.20394(8) 0.36182(11) 0.0265(3) Uani 1 1 d . . .
C22 C -0.01983(12) 0.21724(9) 0.30281(12) 0.0326(3) Uani 1 1 d . . .
C23 C -0.04081(14) 0.21224(11) 0.19755(13) 0.0396(4) Uani 1 1 d . . .
H23 H -0.1118 0.2214 0.1576 0.047 Uiso 1 1 calc R U .
C24 C 0.03871(15) 0.19435(10) 0.14904(12) 0.0396(4) Uani 1 1 d . . .
C25 C 0.14133(14) 0.18039(10) 0.20943(13) 0.0366(3) Uani 1 1 d . . .
H25 H 0.1967 0.1678 0.1774 0.044 Uiso 1 1 calc R U .
C26 C 0.16625(12) 0.18414(9) 0.31533(12) 0.0311(3) Uani 1 1 d . . .
C27 C -0.10900(14) 0.23627(13) 0.35256(14) 0.0462(4) Uani 1 1 d . . .
H27A H -0.1720 0.2539 0.3008 0.069 Uiso 1 1 calc R U .
H27B H -0.0846 0.2758 0.4033 0.069 Uiso 1 1 calc R U .
H27C H -0.1282 0.1914 0.3858 0.069 Uiso 1 1 calc R U .
C28 C 0.0155(2) 0.19176(15) 0.03471(15) 0.0611(6) Uani 1 1 d . . .
H28A H -0.0499 0.1623 0.0074 0.092 Uiso 1 1 calc R U .
H28B H 0.0761 0.1683 0.0149 0.092 Uiso 1 1 calc R U .
H28C H 0.0050 0.2430 0.0075 0.092 Uiso 1 1 calc R U .
C29 C 0.27903(14) 0.16659(13) 0.37696(15) 0.0468(4) Uani 1 1 d . . .
H29A H 0.2822 0.1145 0.4011 0.070 Uiso 1 1 calc R U .
H29B H 0.2985 0.2007 0.4354 0.070 Uiso 1 1 calc R U .
H29C H 0.3295 0.1732 0.3344 0.070 Uiso 1 1 calc R U .
C31 C 0.29118(10) 0.02240(8) 0.58739(11) 0.0265(3) Uani 1 1 d . . .
C32 C 0.34730(12) -0.04166(9) 0.57180(13) 0.0347(3) Uani 1 1 d . . .
H32 H 0.3093 -0.0851 0.5417 0.042 Uiso 1 1 calc R U .
C33 C 0.45895(13) -0.04185(11) 0.60029(15) 0.0422(4) Uani 1 1 d . . .
H33 H 0.4968 -0.0858 0.5899 0.051 Uiso 1 1 calc R U .
C34 C 0.51545(13) 0.02076(12) 0.64343(14) 0.0434(4) Uani 1 1 d . . .
H34 H 0.5918 0.0201 0.6623 0.052 Uiso 1 1 calc R U .
C35 C 0.46058(13) 0.08450(12) 0.65913(14) 0.0417(4) Uani 1 1 d . . .
H35 H 0.4992 0.1278 0.6889 0.050 Uiso 1 1 calc R U .
C36 C 0.34830(12) 0.08539(10) 0.63124(12) 0.0342(3) Uani 1 1 d . . .
H36 H 0.3108 0.1293 0.6423 0.041 Uiso 1 1 calc R U .
C41 C 0.4314(2) 0.05673(16) 1.0083(2) 0.0697(7) Uani 1 1 d . . .
C42 C 0.43278(18) 0.03019(18) 0.9152(2) 0.0722(8) Uani 1 1 d . . .
H42 H 0.3861 0.0513 0.8560 0.087 Uiso 1 1 calc R U .
C43 C 0.5014(2) -0.02708(18) 0.9060(2) 0.0715(8) Uani 1 1 d . . .
H43 H 0.5021 -0.0459 0.8407 0.086 Uiso 1 1 calc R U .
F1 F 0.3624(4) 0.1142(2) 1.0210(4) 0.1015(13) Uani 0.5 1 d . . P
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'
Zn Zn 0.2839 1.4301 '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'
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
N2 Zn1 N1 99.33(5) . .
N2 Zn1 N5 127.80(5) . 3_556
N1 Zn1 N5 112.56(5) . 3_556
N2 Zn1 N3 120.36(5) . .
N1 Zn1 N3 120.04(5) . .
N5 Zn1 N3 77.98(5) 3_556 .
C2 N1 C11 121.39(12) . .
C2 N1 Zn1 119.58(10) . .
C11 N1 Zn1 118.57(10) . .
C4 N2 C21 120.35(12) . .
C4 N2 Zn1 119.03(10) . .
C21 N2 Zn1 120.45(9) . .
N4 N3 C31 114.01(11) . .
N4 N3 Zn1 115.32(8) . .
C31 N3 Zn1 130.67(10) . .
N5 N4 N3 117.37(11) . .
N4 N5 N5 115.84(14) . 3_556
N4 N5 Zn1 130.68(9) . 3_556
N5 N5 Zn1 113.33(11) 3_556 3_556
N1 C2 C3 123.92(13) . .
N1 C2 C1 119.39(14) . .
C3 C2 C1 116.69(14) . .
C4 C3 C2 128.76(14) . .
N2 C4 C3 124.60(14) . .
N2 C4 C5 118.99(14) . .
C3 C4 C5 116.39(14) . .
C12 C11 C16 120.56(14) . .
C12 C11 N1 120.23(14) . .
C16 C11 N1 118.95(14) . .
C11 C12 C13 118.68(16) . .
C11 C12 C17 120.93(15) . .
C13 C12 C17 120.39(17) . .
C14 C13 C12 121.99(17) . .
C15 C14 C13 118.27(15) . .
C15 C14 C18 121.10(18) . .
C13 C14 C18 120.63(19) . .
C14 C15 C16 121.97(16) . .
C15 C16 C11 118.51(16) . .
C15 C16 C19 120.45(15) . .
C11 C16 C19 120.99(14) . .
C26 C21 C22 120.29(14) . .
C26 C21 N2 120.96(13) . .
C22 C21 N2 118.61(12) . .
C23 C22 C21 119.00(14) . .
C23 C22 C27 120.28(14) . .
C21 C22 C27 120.71(14) . .
C24 C23 C22 122.02(15) . .
C23 C24 C25 117.68(15) . .
C23 C24 C28 121.34(18) . .
C25 C24 C28 120.97(17) . .
C24 C25 C26 122.47(15) . .
C21 C26 C25 118.51(14) . .
C21 C26 C29 121.55(14) . .
C25 C26 C29 119.93(14) . .
C36 C31 C32 119.16(13) . .
C36 C31 N3 117.53(13) . .
C32 C31 N3 123.28(13) . .
C33 C32 C31 119.87(16) . .
C34 C33 C32 120.88(17) . .
C33 C34 C35 119.68(15) . .
C34 C35 C36 120.07(17) . .
C31 C36 C35 120.34(16) . .
C42 C41 C43 120.4(3) . 3_657
C42 C41 F1 122.0(3) . .
C43 C41 F1 117.6(3) 3_657 .
C41 C42 C43 120.3(2) . .
C41 C43 C42 119.3(3) 3_657 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N2 1.9364(12) .
Zn1 N1 1.9519(12) .
Zn1 N5 1.9801(12) 3_556
Zn1 N3 2.0166(12) .
N1 C2 1.319(2) .
N1 C11 1.4378(18) .
N2 C4 1.3277(19) .
N2 C21 1.4389(18) .
N3 N4 1.3041(17) .
N3 C31 1.4203(17) .
N4 N5 1.3012(16) .
N5 N5 1.403(2) 3_556
N5 Zn1 1.9801(12) 3_556
C1 C2 1.511(2) .
C2 C3 1.409(2) .
C3 C4 1.407(2) .
C4 C5 1.509(2) .
C11 C12 1.392(2) .
C11 C16 1.404(2) .
C12 C13 1.396(2) .
C12 C17 1.504(2) .
C13 C14 1.386(3) .
C14 C15 1.379(3) .
C14 C18 1.513(2) .
C15 C16 1.397(2) .
C16 C19 1.503(3) .
C21 C26 1.395(2) .
C21 C22 1.404(2) .
C22 C23 1.390(2) .
C22 C27 1.510(2) .
C23 C24 1.387(3) .
C24 C25 1.388(3) .
C24 C28 1.507(2) .
C25 C26 1.395(2) .
C26 C29 1.512(2) .
C31 C36 1.389(2) .
C31 C32 1.393(2) .
C32 C33 1.389(2) .
C33 C34 1.377(3) .
C34 C35 1.380(3) .
C35 C36 1.396(2) .
C41 C42 1.356(4) .
C41 C43 1.368(4) 3_657
C41 F1 1.393(5) .
C42 C43 1.374(4) .
C43 C41 1.368(4) 3_657
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C31 N3 N4 N5 -177.84(12) . .
Zn1 N3 N4 N5 1.50(16) . .
N3 N4 N5 N5 1.7(2) . 3_556
N3 N4 N5 Zn1 176.78(10) . 3_556
C11 N1 C2 C3 -166.33(15) . .
Zn1 N1 C2 C3 5.7(2) . .
C11 N1 C2 C1 12.9(2) . .
Zn1 N1 C2 C1 -175.02(13) . .
N1 C2 C3 C4 14.1(3) . .
C1 C2 C3 C4 -165.20(17) . .
C21 N2 C4 C3 168.18(14) . .
Zn1 N2 C4 C3 -7.08(19) . .
C21 N2 C4 C5 -10.1(2) . .
Zn1 N2 C4 C5 174.63(11) . .
C2 C3 C4 N2 -13.3(3) . .
C2 C3 C4 C5 164.98(16) . .
C2 N1 C11 C12 -106.27(18) . .
Zn1 N1 C11 C12 81.58(17) . .
C2 N1 C11 C16 79.58(19) . .
Zn1 N1 C11 C16 -92.57(15) . .
C16 C11 C12 C13 -0.7(2) . .
N1 C11 C12 C13 -174.79(15) . .
C16 C11 C12 C17 179.01(18) . .
N1 C11 C12 C17 4.9(3) . .
C11 C12 C13 C14 -0.9(3) . .
C17 C12 C13 C14 179.40(19) . .
C12 C13 C14 C15 1.1(3) . .
C12 C13 C14 C18 -179.90(19) . .
C13 C14 C15 C16 0.3(3) . .
C18 C14 C15 C16 -178.74(18) . .
C14 C15 C16 C11 -1.8(3) . .
C14 C15 C16 C19 175.47(17) . .
C12 C11 C16 C15 2.0(2) . .
N1 C11 C16 C15 176.14(14) . .
C12 C11 C16 C19 -175.23(16) . .
N1 C11 C16 C19 -1.1(2) . .
C4 N2 C21 C26 93.59(17) . .
Zn1 N2 C21 C26 -91.22(15) . .
C4 N2 C21 C22 -90.72(17) . .
Zn1 N2 C21 C22 84.47(15) . .
C26 C21 C22 C23 -1.6(2) . .
N2 C21 C22 C23 -177.36(15) . .
C26 C21 C22 C27 178.03(16) . .
N2 C21 C22 C27 2.3(2) . .
C21 C22 C23 C24 0.2(3) . .
C27 C22 C23 C24 -179.51(18) . .
C22 C23 C24 C25 0.8(3) . .
C22 C23 C24 C28 -177.88(19) . .
C23 C24 C25 C26 -0.3(3) . .
C28 C24 C25 C26 178.38(19) . .
C22 C21 C26 C25 2.1(2) . .
N2 C21 C26 C25 177.71(14) . .
C22 C21 C26 C29 -177.64(16) . .
N2 C21 C26 C29 -2.0(2) . .
C24 C25 C26 C21 -1.1(3) . .
C24 C25 C26 C29 178.61(17) . .
N4 N3 C31 C36 -168.43(13) . .
Zn1 N3 C31 C36 12.35(19) . .
N4 N3 C31 C32 13.4(2) . .
Zn1 N3 C31 C32 -165.80(12) . .
C36 C31 C32 C33 0.1(2) . .
N3 C31 C32 C33 178.26(15) . .
C31 C32 C33 C34 -0.4(3) . .
C32 C33 C34 C35 0.3(3) . .
C33 C34 C35 C36 -0.1(3) . .
C32 C31 C36 C35 0.1(2) . .
N3 C31 C36 C35 -178.10(14) . .
C34 C35 C36 C31 -0.2(3) . .
C43 C41 C42 C43 0.3(4) 3_657 .
F1 C41 C42 C43 -179.4(3) . .
C41 C42 C43 C41 -0.3(4) . 3_657
