#------------------------------------------------------------------------------
#$Date: 2024-03-04 22:25:31 +0200 (Mon, 04 Mar 2024) $
#$Revision: 290214 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/50/7715069.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_7715069
loop_
_publ_author_name
'Sirenko, Valerii Y.'
'Kucheriv, Olesia I.'
'Shova, Sergiu'
'Shylin, Sergii I.'
'Ksenofontov, Vadim'
'Fritsky, Igor O.'
'Tremel, Wolfgang'
'Gural'skiy, Il'ya A.'
_publ_section_title
;
 Nature of cyanoargentate bridges defining spin crossover in new 2D
 Hofmann clathrate analogues.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4251
_journal_page_last               4259
_journal_paper_doi               10.1039/d3dt04372j
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C16 H16 Ag2 Fe N8'
_chemical_formula_sum            'C16 H16 Ag2 Fe N8'
_chemical_formula_weight         591.96
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2023-11-29
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-12-20 deposited with the CCDC.	2024-01-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.440(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.4042(7)
_cell_length_b                   10.5890(5)
_cell_length_c                   17.3831(16)
_cell_measurement_reflns_used    2108
_cell_measurement_temperature    304(5)
_cell_measurement_theta_max      28.6760
_cell_measurement_theta_min      2.0140
_cell_volume                     2281.2(3)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      304.15
_diffrn_detector_area_resol_mean 16.1593
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     11.00  95.00   1.00    6.00    --   26.35  38.00 -60.00   84
  2  ω     -1.00  26.00   1.00    6.00    --   26.35  19.00 120.00   27
  3  ω    -43.00  44.00   1.00    6.00    --   26.35 -38.00 120.00   87
  4  ω     42.00  80.00   1.00    6.00    --   26.35-126.00 -36.00   38
  5  ω    -32.00  -7.00   1.00    6.00    --  -24.01 -57.00 -60.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0473
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9189
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.025
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_min         1.978
_exptl_absorpt_coefficient_mu    2.343
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86233
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_description       block
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.864
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4036
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0253P)²+6.4624P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0978
_refine_ls_wR_factor_ref         0.1111
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2909
_reflns_number_total             4036
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt04372j2.cif
_cod_data_source_block           shi_3710_ilgu
_cod_depositor_comments
'Adding full bibliography for 7715067--7715070.cif.'
_cod_database_code               7715069
_shelx_shelxl_version_number     2018/3
_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_max   0.494
_shelx_estimated_absorpt_t_min   0.419
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C12-C16
 2.5 with sigma of 0.01
 C9-C10B
 1.54 with sigma of 0.02
 C9-C10A
 1.54 with sigma of 0.02
 C16-C15
 1.54 with sigma of 0.02
 C9-C6 \\sim C12-C15
 with sigma of 0.01
3. Restrained planarity
 N5, C8, N6, C7, C5, C6
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uanis(C15) = Uanis(C16)
Uanis(C10B) = Uanis(C10A)
5. Others
 Fixed Sof: H9BC(0.37) H9BD(0.37) H9AA(0.63) H9AB(0.63) C10B(0.37) H10A(0.37)
 H10B(0.37) H10C(0.37) C10A(0.63) H10D(0.63) H10E(0.63) H10F(0.63)
6.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C9(H9BC,H9BD), C9(H9AA,H9AB)
6.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C11(H11), C7(H7), C14(H14), C13(H13), C5(H5)
6.c Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C10B(H10A,H10B,H10C), C10A(H10D,H10E,H10F)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.71527(5) 0.23518(4) 0.55918(4) 0.0583(2) Uani 1 1 d . . . . .
Fe1 Fe 0.69306(7) 0.73648(7) 0.55790(5) 0.0320(2) Uani 1 1 d . . . . .
Ag2 Ag 0.55928(5) 0.26828(7) 0.69033(3) 0.0673(2) Uani 1 1 d . . . . .
N1 N 0.7061(5) 0.5370(5) 0.5643(3) 0.0501(16) Uani 1 1 d . . . . .
N7 N 0.8582(4) 0.7431(5) 0.5119(3) 0.0430(13) Uani 1 1 d . . . . .
C3 C 0.6920(6) 1.0434(6) 0.5511(4) 0.054(2) Uani 1 1 d . . . . .
N3 N 0.6866(5) 0.9363(5) 0.5495(3) 0.0551(16) Uani 1 1 d . . . . .
C1 C 0.7107(6) 0.4295(6) 0.5646(4) 0.0494(18) Uani 1 1 d . . . . .
N8 N 1.0679(5) 0.7654(7) 0.4619(5) 0.079(2) Uani 1 1 d . . . . .
N5 N 0.5282(4) 0.7316(5) 0.6036(3) 0.0478(14) Uani 1 1 d . . . . .
C8 C 0.4671(6) 0.6291(8) 0.5988(4) 0.065(2) Uani 1 1 d . . . . .
H8 H 0.494093 0.556816 0.576038 0.077 Uiso 1 1 calc R U . . .
C11 C 0.8846(6) 0.8222(7) 0.4576(4) 0.060(2) Uani 1 1 d . . . . .
H11 H 0.830354 0.870691 0.433755 0.072 Uiso 1 1 calc R U . . .
N6 N 0.3204(6) 0.7233(9) 0.6580(5) 0.095(3) Uani 1 1 d . . . . .
C7 C 0.3661(8) 0.6267(10) 0.6262(6) 0.090(3) Uani 1 1 d . . . . .
H7 H 0.327235 0.551677 0.621985 0.107 Uiso 1 1 calc R U . . .
N4 N 0.6224(5) 0.7224(5) 0.4442(3) 0.0500(15) Uani 1 1 d . . . . .
C14 C 0.9386(6) 0.6751(8) 0.5420(5) 0.069(2) Uani 1 1 d . . . . .
H14 H 0.925450 0.618548 0.581459 0.083 Uiso 1 1 calc R U . . .
C13 C 1.0410(7) 0.6859(9) 0.5163(6) 0.092(3) Uani 1 1 d . . . . .
H13 H 1.094553 0.634477 0.538474 0.110 Uiso 1 1 calc R U . . .
C12 C 0.9879(7) 0.8371(8) 0.4343(5) 0.075(3) Uani 1 1 d D . . . .
C5 C 0.4832(7) 0.8318(7) 0.6347(5) 0.075(3) Uani 1 1 d . . . . .
H5 H 0.521873 0.906938 0.638679 0.090 Uiso 1 1 calc R U . . .
C4 C 0.5631(6) 0.7238(7) 0.3937(4) 0.0523(18) Uani 1 1 d . . . . .
C6 C 0.3788(8) 0.8268(10) 0.6616(6) 0.096(3) Uani 1 1 d D . . . .
N2 N 0.7684(5) 0.7521(6) 0.6698(3) 0.0581(16) Uani 1 1 d . . . . .
C2 C 0.8262(6) 0.7576(8) 0.7213(4) 0.061(2) Uani 1 1 d . . . . .
C15 C 1.0139(11) 0.9445(11) 0.3757(6) 0.141(3) Uani 1 1 d D . . . .
H15A H 0.950078 0.995626 0.365200 0.169 Uiso 1 1 calc R U . . .
H15B H 1.070225 0.998760 0.397693 0.169 Uiso 1 1 calc R U . . .
C9 C 0.3304(12) 0.9460(12) 0.6995(9) 0.168(7) Uani 1 1 d D . . . .
H9BC H 0.370700 1.020999 0.686505 0.202 Uiso 0.37 1 calc R U P A 2
H9BD H 0.255560 0.957523 0.682365 0.202 Uiso 0.37 1 calc R U P A 2
H9AA H 0.332530 1.015421 0.663157 0.202 Uiso 0.63 1 calc R U P B 1
H9AB H 0.255171 0.929559 0.709015 0.202 Uiso 0.63 1 calc R U P B 1
C16 C 1.0488(10) 0.8896(12) 0.3051(5) 0.141(3) Uani 1 1 d D . . . .
H16A H 1.061777 0.955472 0.268672 0.212 Uiso 1 1 calc R U . . .
H16B H 0.993793 0.834054 0.284312 0.212 Uiso 1 1 calc R U . . .
H16C H 1.114123 0.842756 0.315272 0.212 Uiso 1 1 calc R U . . .
C10B C 0.339(7) 0.921(4) 0.7852(15) 0.237(18) Uani 0.37 1 d D . P C 2
H10A H 0.281918 0.866498 0.799390 0.355 Uiso 0.37 1 calc R U P C 2
H10B H 0.334197 0.999991 0.812434 0.355 Uiso 0.37 1 calc R U P C 2
H10C H 0.407489 0.882386 0.798216 0.355 Uiso 0.37 1 calc R U P C 2
C10A C 0.387(3) 0.987(2) 0.7741(14) 0.237(18) Uani 0.63 1 d D . P C 1
H10D H 0.382033 0.920698 0.811482 0.355 Uiso 0.63 1 calc R U P C 1
H10E H 0.352368 1.061629 0.792813 0.355 Uiso 0.63 1 calc R U P C 1
H10F H 0.460945 1.004752 0.765440 0.355 Uiso 0.63 1 calc R U P C 1
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'
Ag Ag -0.8971 1.1015 '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'
N N 0.0061 0.0033 '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
C3 Ag1 Ag2 94.2(2) 1_545 . ?
C3 Ag1 C1 170.3(3) 1_545 . ?
C1 Ag1 Ag2 80.4(2) . . ?
N1 Fe1 N7 88.9(2) . . ?
N1 Fe1 N3 177.6(2) . . ?
N1 Fe1 N5 91.6(2) . . ?
N1 Fe1 N4 90.4(2) . . ?
N1 Fe1 N2 90.0(2) . . ?
N3 Fe1 N7 88.7(2) . . ?
N3 Fe1 N5 90.9(2) . . ?
N3 Fe1 N4 89.6(2) . . ?
N3 Fe1 N2 89.9(2) . . ?
N5 Fe1 N7 179.52(19) . . ?
N4 Fe1 N7 91.0(2) . . ?
N4 Fe1 N5 88.9(2) . . ?
N2 Fe1 N7 87.2(2) . . ?
N2 Fe1 N5 92.9(2) . . ?
N2 Fe1 N4 178.2(2) . . ?
C4 Ag2 Ag1 87.0(2) 3_666 . ?
C2 Ag2 Ag1 96.4(2) 2_646 . ?
C2 Ag2 C4 176.4(3) 2_646 3_666 ?
C1 N1 Fe1 176.9(6) . . ?
C11 N7 Fe1 122.6(4) . . ?
C11 N7 C14 115.1(6) . . ?
C14 N7 Fe1 122.1(5) . . ?
N3 C3 Ag1 174.8(7) . 1_565 ?
C3 N3 Fe1 172.4(6) . . ?
N1 C1 Ag1 176.9(6) . . ?
C13 N8 C12 114.7(7) . . ?
C8 N5 Fe1 121.9(5) . . ?
C8 N5 C5 115.7(7) . . ?
C5 N5 Fe1 122.4(5) . . ?
N5 C8 H8 119.1 . . ?
N5 C8 C7 121.8(8) . . ?
C7 C8 H8 119.1 . . ?
N7 C11 H11 118.3 . . ?
N7 C11 C12 123.5(7) . . ?
C12 C11 H11 118.3 . . ?
C7 N6 C6 115.3(8) . . ?
C8 C7 H7 118.1 . . ?
N6 C7 C8 123.8(9) . . ?
N6 C7 H7 118.1 . . ?
C4 N4 Fe1 162.7(6) . . ?
N7 C14 H14 119.3 . . ?
N7 C14 C13 121.4(7) . . ?
C13 C14 H14 119.3 . . ?
N8 C13 C14 123.6(8) . . ?
N8 C13 H13 118.2 . . ?
C14 C13 H13 118.2 . . ?
N8 C12 C11 121.5(7) . . ?
N8 C12 C15 118.7(8) . . ?
C11 C12 C15 119.7(9) . . ?
N5 C5 H5 119.4 . . ?
N5 C5 C6 121.2(8) . . ?
C6 C5 H5 119.4 . . ?
N4 C4 Ag2 173.4(7) . 3_666 ?
N6 C6 C5 122.2(8) . . ?
N6 C6 C9 118.4(10) . . ?
C5 C6 C9 119.4(10) . . ?
C2 N2 Fe1 166.4(7) . . ?
N2 C2 Ag2 175.8(7) . 2_656 ?
C12 C15 H15A 109.7 . . ?
C12 C15 H15B 109.7 . . ?
H15A C15 H15B 108.2 . . ?
C16 C15 C12 109.7(9) . . ?
C16 C15 H15A 109.7 . . ?
C16 C15 H15B 109.7 . . ?
C6 C9 H9BC 110.7 . . ?
C6 C9 H9BD 110.7 . . ?
C6 C9 H9AA 108.5 . . ?
C6 C9 H9AB 108.5 . . ?
H9BC C9 H9BD 108.8 . . ?
H9AA C9 H9AB 107.5 . . ?
C10B C9 C6 105(3) . . ?
C10B C9 H9BC 110.7 . . ?
C10B C9 H9BD 110.7 . . ?
C10A C9 C6 115.1(17) . . ?
C10A C9 H9AA 108.5 . . ?
C10A C9 H9AB 108.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C9 C10B H10A 109.5 . . ?
C9 C10B H10B 109.5 . . ?
C9 C10B H10C 109.5 . . ?
H10A C10B H10B 109.5 . . ?
H10A C10B H10C 109.5 . . ?
H10B C10B H10C 109.5 . . ?
C9 C10A H10D 109.5 . . ?
C9 C10A H10E 109.5 . . ?
C9 C10A H10F 109.5 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
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
Ag1 Ag2 3.0724(9) . ?
Ag1 C3 2.055(7) 1_545 ?
Ag1 C1 2.061(7) . ?
Fe1 N1 2.121(5) . ?
Fe1 N7 2.231(5) . ?
Fe1 N3 2.122(5) . ?
Fe1 N5 2.226(6) . ?
Fe1 N4 2.133(6) . ?
Fe1 N2 2.128(6) . ?
Ag2 C4 2.063(7) 3_666 ?
Ag2 C2 2.050(7) 2_646 ?
N1 C1 1.139(8) . ?
N7 C11 1.315(9) . ?
N7 C14 1.321(8) . ?
C3 N3 1.137(8) . ?
N8 C13 1.320(10) . ?
N8 C12 1.323(10) . ?
N5 C8 1.324(9) . ?
N5 C5 1.325(9) . ?
C8 H8 0.9300 . ?
C8 C7 1.360(11) . ?
C11 H11 0.9300 . ?
C11 C12 1.369(10) . ?
N6 C7 1.304(11) . ?
N6 C6 1.313(12) . ?
C7 H7 0.9300 . ?
N4 C4 1.122(8) . ?
C14 H14 0.9300 . ?
C14 C13 1.368(11) . ?
C13 H13 0.9300 . ?
C12 C15 1.570(11) . ?
C5 H5 0.9300 . ?
C5 C6 1.397(12) . ?
C6 C9 1.557(11) . ?
N2 C2 1.125(8) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.441(11) . ?
C9 H9BC 0.9700 . ?
C9 H9BD 0.9700 . ?
C9 H9AA 0.9700 . ?
C9 H9AB 0.9700 . ?
C9 C10B 1.51(2) . ?
C9 C10A 1.509(18) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C10B H10A 0.9600 . ?
C10B H10B 0.9600 . ?
C10B H10C 0.9600 . ?
C10A H10D 0.9600 . ?
C10A H10E 0.9600 . ?
C10A H10F 0.9600 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Fe1 N7 C11 C12 172.9(7) . . . . ?
Fe1 N7 C14 C13 -175.9(7) . . . . ?
Fe1 N5 C8 C7 -179.5(7) . . . . ?
Fe1 N5 C5 C6 178.8(7) . . . . ?
N7 C11 C12 N8 4.7(14) . . . . ?
N7 C11 C12 C15 -173.1(8) . . . . ?
N7 C14 C13 N8 1.6(17) . . . . ?
N8 C12 C15 C16 66.3(14) . . . . ?
N5 C8 C7 N6 1.0(15) . . . . ?
N5 C5 C6 N6 0.3(15) . . . . ?
N5 C5 C6 C9 178.6(9) . . . . ?
C8 N5 C5 C6 1.2(12) . . . . ?
C11 N7 C14 C13 -1.3(13) . . . . ?
C11 C12 C15 C16 -115.9(12) . . . . ?
N6 C6 C9 C10B 76(3) . . . . ?
N6 C6 C9 C10A 113(2) . . . . ?
C7 N6 C6 C5 -1.2(15) . . . . ?
C7 N6 C6 C9 -179.5(11) . . . . ?
C14 N7 C11 C12 -1.6(12) . . . . ?
C13 N8 C12 C11 -4.2(14) . . . . ?
C13 N8 C12 C15 173.6(9) . . . . ?
C12 N8 C13 C14 1.3(16) . . . . ?
C5 N5 C8 C7 -1.8(11) . . . . ?
C5 C6 C9 C10B -102(3) . . . . ?
C5 C6 C9 C10A -65(2) . . . . ?
C6 N6 C7 C8 0.5(15) . . . . ?
