#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:39:59 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180514 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/83/7218351.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_7218351
loop_
_publ_author_name
'Peuronen, Anssi'
'Rinta, Heikki'
'Lahtinen, Manu'
_publ_section_title
;
 N⋯I halogen bonding supported stabilization of a discrete
 pseudo-linear [I12]2−polyiodide
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1736
_journal_paper_doi               10.1039/C4CE01866D
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C20 H40 I4 N4, 2(F6 P)'
_chemical_formula_sum            'C20 H40 F12 I4 N4 P2'
_chemical_formula_weight         1134.10
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2014-08-25
_audit_creation_method
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_cell_angle_alpha                96.851(5)
_cell_angle_beta                 90.584(5)
_cell_angle_gamma                111.270(7)
_cell_formula_units_Z            1
_cell_length_a                   8.1603(6)
_cell_length_b                   9.2796(8)
_cell_length_c                   11.8828(5)
_cell_measurement_reflns_used    2736
_cell_measurement_temperature    123.00(10)
_cell_measurement_theta_max      75.8610
_cell_measurement_theta_min      5.1490
_cell_volume                     831.14(11)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      123.00(10)
_diffrn_detector_area_resol_mean 10.3953
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details
;
  1 omega -107.00  -15.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  -57.0000  150.0000 92

  2 omega  -64.00   30.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000   57.0000  -60.0000 94

  3 omega  -75.00  -44.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  178.0000  -90.0000 31

  4 omega    2.00   79.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.8187  -99.0000   60.0000 77

  5 omega  107.00  176.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   30.0000 -120.0000 69

  6 omega   41.00  116.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -111.0000 -150.0000 75

  7 omega   73.00  149.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  178.0000 -150.0000 76

  8 omega   65.00  111.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -111.0000    0.0000 46

  9 omega   49.00   95.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -45.0000    0.0000 46

 10 omega   45.00   87.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -45.0000  150.0000 42

 11 omega   90.00  175.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   45.0000  -60.0000 85

 12 omega   45.00   89.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -30.0000  -90.0000 44

 13 omega   48.00  120.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -61.0000 -150.0000 72

 14 omega   38.00  103.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -94.0000   30.0000 65

 15 omega   89.00  172.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   45.0000 -180.0000 83
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.1131105000
_diffrn_orient_matrix_UB_12      0.1396148000
_diffrn_orient_matrix_UB_13      0.0860605000
_diffrn_orient_matrix_UB_21      -0.1684410000
_diffrn_orient_matrix_UB_22      0.0167250000
_diffrn_orient_matrix_UB_23      0.0468665000
_diffrn_orient_matrix_UB_31      -0.0035354000
_diffrn_orient_matrix_UB_32      -0.1119305000
_diffrn_orient_matrix_UB_33      0.0866316000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_unetI/netI     0.0611
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            5124
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.979
_diffrn_reflns_theta_min         3.753
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    31.229
_exptl_absorpt_correction_T_max  0.264
_exptl_absorpt_correction_T_min  0.080
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.266
_exptl_crystal_F_000             538
_exptl_crystal_size_max          0.2031
_exptl_crystal_size_mid          0.1225
_exptl_crystal_size_min          0.0821
_refine_diff_density_max         1.566
_refine_diff_density_min         -2.420
_refine_diff_density_rms         0.231
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3050
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0612P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1167
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2602
_reflns_number_total             3050
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4ce01866d2.cif
_cod_data_source_block           2-2I2_2PF6
_cod_depositor_comments
'Adding full bibliography for 7218347--7218353.cif.'
_cod_original_cell_volume        831.15(10)
_cod_database_code               7218351
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2013-4
_chemical_oxdiff_formula         'C20 H40 N4 F12 P2 I4'
_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.
;
_reflns_odcompleteness_completeness 98.17
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     71.98
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B),
 C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B)
;
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
I1 I -0.19019(5) 0.24491(5) 0.00401(3) 0.01972(15) Uani 1 1 d .
I2 I -0.47023(6) 0.23038(5) -0.13748(3) 0.02287(15) Uani 1 1 d .
N1 N 0.0560(7) 0.2593(6) 0.1377(4) 0.0153(11) Uani 1 1 d .
N2 N 0.3010(7) 0.2674(7) 0.2756(4) 0.0167(11) Uani 1 1 d .
C1 C 0.2249(9) 0.3012(9) 0.0809(6) 0.0223(15) Uani 1 1 d .
H1A H 0.2628 0.4106 0.0649 0.027 Uiso 1 1 calc R
H1B H 0.2086 0.2330 0.0077 0.027 Uiso 1 1 calc R
C2 C 0.3674(9) 0.2825(8) 0.1570(5) 0.0180(13) Uani 1 1 d .
H2A H 0.3912 0.1883 0.1267 0.022 Uiso 1 1 calc R
H2B H 0.4781 0.3744 0.1591 0.022 Uiso 1 1 calc R
C3 C 0.0744(10) 0.3775(9) 0.2359(6) 0.0226(14) Uani 1 1 d .
H3A H -0.0325 0.3447 0.2798 0.027 Uiso 1 1 calc R
H3B H 0.0873 0.4782 0.2096 0.027 Uiso 1 1 calc R
C4 C 0.2375(9) 0.3979(8) 0.3124(6) 0.0197(14) Uani 1 1 d .
H4A H 0.3320 0.4996 0.3060 0.024 Uiso 1 1 calc R
H4B H 0.2064 0.3961 0.3927 0.024 Uiso 1 1 calc R
C5 C 0.0141(10) 0.1058(9) 0.1776(6) 0.0227(14) Uani 1 1 d .
H5A H 0.0160 0.0281 0.1133 0.027 Uiso 1 1 calc R
H5B H -0.1059 0.0712 0.2060 0.027 Uiso 1 1 calc R
C6 C 0.1465(9) 0.1144(8) 0.2720(6) 0.0219(14) Uani 1 1 d .
H6A H 0.0907 0.1086 0.3458 0.026 Uiso 1 1 calc R
H6B H 0.1872 0.0259 0.2572 0.026 Uiso 1 1 calc R
C7 C 0.4454(9) 0.2745(9) 0.3615(6) 0.0222(14) Uani 1 1 d .
H7A H 0.5285 0.3839 0.3784 0.027 Uiso 1 1 calc R
H7B H 0.3908 0.2425 0.4330 0.027 Uiso 1 1 calc R
C8 C 0.5485(10) 0.1722(9) 0.3221(6) 0.0228(15) Uani 1 1 d .
H8A H 0.6225 0.2162 0.2599 0.027 Uiso 1 1 calc R
H8B H 0.4653 0.0664 0.2919 0.027 Uiso 1 1 calc R
C9 C 0.6659(10) 0.1604(10) 0.4191(6) 0.0281(16) Uani 1 1 d .
H9A H 0.7473 0.2669 0.4491 0.034 Uiso 1 1 calc R
H9B H 0.7384 0.1013 0.3878 0.034 Uiso 1 1 calc R
C10 C 0.5672(9) 0.0818(9) 0.5183(6) 0.0244(16) Uani 1 1 d .
H10A H 0.6539 0.0761 0.5748 0.029 Uiso 1 1 calc R
H10B H 0.5059 0.1474 0.5559 0.029 Uiso 1 1 calc R
P1 P 0.8643(2) 0.6915(2) 0.33846(14) 0.0195(4) Uani 1 1 d .
F1 F 0.8793(7) 0.5626(6) 0.4126(4) 0.0387(12) Uani 1 1 d .
F2 F 0.6662(6) 0.6575(6) 0.3751(4) 0.0381(12) Uani 1 1 d .
F3 F 0.7908(6) 0.5592(5) 0.2328(4) 0.0325(10) Uani 1 1 d .
F4 F 0.8485(6) 0.8183(6) 0.2640(4) 0.0385(11) Uani 1 1 d .
F5 F 1.0607(6) 0.7262(5) 0.3010(4) 0.0317(10) Uani 1 1 d .
F6 F 0.9356(7) 0.8227(6) 0.4457(4) 0.0407(12) 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 0.0181 0.0091 '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 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2 -6 -1 0.0408 1.9870 -6.0029 -0.9979 -0.6992 -0.4819 0.5784
0 -1 -7 0.0279 -0.0053 -1.0031 -6.9956 -0.7427 -0.3437 -0.4937
-2 6 -2 0.0725 -1.9883 6.0017 -2.0005 0.4409 0.3415 -0.8381
1 -4 7 0.0746 0.9947 -3.9988 6.9977 0.1565 0.0935 1.0503
0 1 7 0.0543 0.0053 1.0031 6.9956 0.7427 0.3437 0.4937
3 4 -2 0.0473 3.0082 3.9992 -2.0049 0.7261 -0.5338 -0.6320
-2 4 -6 0.0592 -1.9944 3.9996 -5.9971 -0.1833 0.1218 -0.9602
-4 2 -5 0.0564 -3.9986 2.0002 -4.9941 -0.6028 0.4729 -0.6424
3 0 -6 0.0259 2.9978 -0.0036 -6.0002 -0.1778 -0.7862 -0.5300
-3 0 6 0.0636 -2.9978 0.0036 6.0002 0.1778 0.7862 0.5300
-5 0 -2 0.0326 -5.0017 0.0012 -1.9932 -0.7371 0.7491 -0.1551
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
N1 I1 I2 177.91(11) .
C1 N1 I1 111.0(4) .
C3 N1 I1 109.8(4) .
C3 N1 C1 108.9(5) .
C3 N1 C5 109.0(5) .
C5 N1 I1 108.7(4) .
C5 N1 C1 109.5(5) .
C2 N2 C7 111.7(5) .
C4 N2 C2 109.2(5) .
C4 N2 C6 108.2(5) .
C4 N2 C7 108.8(5) .
C6 N2 C2 108.6(5) .
C6 N2 C7 110.2(5) .
N1 C1 H1A 109.6 .
N1 C1 H1B 109.6 .
N1 C1 C2 110.2(5) .
H1A C1 H1B 108.1 .
C2 C1 H1A 109.6 .
C2 C1 H1B 109.6 .
N2 C2 C1 108.2(5) .
N2 C2 H2A 110.1 .
N2 C2 H2B 110.1 .
C1 C2 H2A 110.1 .
C1 C2 H2B 110.1 .
H2A C2 H2B 108.4 .
N1 C3 H3A 109.7 .
N1 C3 H3B 109.7 .
N1 C3 C4 109.7(6) .
H3A C3 H3B 108.2 .
C4 C3 H3A 109.7 .
C4 C3 H3B 109.7 .
N2 C4 C3 109.0(5) .
N2 C4 H4A 109.9 .
N2 C4 H4B 109.9 .
C3 C4 H4A 109.9 .
C3 C4 H4B 109.9 .
H4A C4 H4B 108.3 .
N1 C5 H5A 109.5 .
N1 C5 H5B 109.5 .
N1 C5 C6 110.9(6) .
H5A C5 H5B 108.1 .
C6 C5 H5A 109.5 .
C6 C5 H5B 109.5 .
N2 C6 C5 108.3(5) .
N2 C6 H6A 110.0 .
N2 C6 H6B 110.0 .
C5 C6 H6A 110.0 .
C5 C6 H6B 110.0 .
H6A C6 H6B 108.4 .
N2 C7 H7A 108.7 .
N2 C7 H7B 108.7 .
H7A C7 H7B 107.6 .
C8 C7 N2 114.2(6) .
C8 C7 H7A 108.7 .
C8 C7 H7B 108.7 .
C7 C8 H8A 109.3 .
C7 C8 H8B 109.3 .
C7 C8 C9 111.5(6) .
H8A C8 H8B 108.0 .
C9 C8 H8A 109.3 .
C9 C8 H8B 109.3 .
C8 C9 H9A 108.5 .
C8 C9 H9B 108.5 .
C8 C9 C10 115.2(6) .
H9A C9 H9B 107.5 .
C10 C9 H9A 108.5 .
C10 C9 H9B 108.5 .
C9 C10 H10A 108.9 .
C9 C10 H10B 108.9 .
C10 C10 C9 113.3(7) 2_656
C10 C10 H10A 108.9 2_656
C10 C10 H10B 108.9 2_656
H10A C10 H10B 107.7 .
F1 P1 F2 90.3(3) .
F3 P1 F1 89.1(3) .
F3 P1 F2 89.5(3) .
F3 P1 F4 90.4(3) .
F3 P1 F5 90.3(2) .
F3 P1 F6 179.1(3) .
F4 P1 F1 179.5(3) .
F4 P1 F2 89.6(3) .
F4 P1 F5 89.8(3) .
F4 P1 F6 90.1(3) .
F5 P1 F1 90.3(3) .
F5 P1 F2 179.4(3) .
F6 P1 F1 90.4(3) .
F6 P1 F2 89.7(3) .
F6 P1 F5 90.5(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 I2 2.7769(6) .
I1 N1 2.503(6) .
N1 C1 1.483(8) .
N1 C3 1.470(9) .
N1 C5 1.477(9) .
N2 C2 1.518(7) .
N2 C4 1.503(9) .
N2 C6 1.515(8) .
N2 C7 1.529(9) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C1 C2 1.537(9) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C3 C4 1.544(10) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C5 C6 1.525(10) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C7 C8 1.520(10) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C8 C9 1.530(10) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C9 C10 1.539(9) .
C10 C10 1.524(15) 2_656
C10 H10A 0.9900 .
C10 H10B 0.9900 .
P1 F1 1.605(5) .
P1 F2 1.606(4) .
P1 F3 1.590(4) .
P1 F4 1.593(5) .
P1 F5 1.595(4) .
P1 F6 1.595(5) .
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_4
I1 N1 C1 C2 -170.4(4) .
I1 N1 C3 C4 -174.5(4) .
I1 N1 C5 C6 -171.8(4) .
N1 C1 C2 N2 -14.2(8) .
N1 C3 C4 N2 -12.1(7) .
N1 C5 C6 N2 -12.8(8) .
N2 C7 C8 C9 -169.3(6) .
C1 N1 C3 C4 -52.8(7) .
C1 N1 C5 C6 66.8(7) .
C2 N2 C4 C3 65.8(6) .
C2 N2 C6 C5 -51.9(7) .
C2 N2 C7 C8 -46.8(8) .
C3 N1 C1 C2 68.7(7) .
C3 N1 C5 C6 -52.2(7) .
C4 N2 C2 C1 -50.4(7) .
C4 N2 C6 C5 66.6(6) .
C4 N2 C7 C8 -167.4(6) .
C5 N1 C1 C2 -50.4(7) .
C5 N1 C3 C4 66.6(7) .
C6 N2 C2 C1 67.4(7) .
C6 N2 C4 C3 -52.3(6) .
C6 N2 C7 C8 74.1(7) .
C7 N2 C2 C1 -170.9(6) .
C7 N2 C4 C3 -172.0(5) .
C7 N2 C6 C5 -174.6(5) .
C7 C8 C9 C10 63.5(9) .
C8 C9 C10 C10 56.3(11) 2_656
