#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:21:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179748 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/44/7004491.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_7004491
loop_
_publ_author_name
'Samantaray, Manoja K.'
'Pang, Keliang'
'Shaikh, Mobin M.'
'Ghosh, Prasenjit'
_publ_section_title
;
 Unprecedented long-range 1,7-bromination in gold complexes of
 N-(aryl)imino functionalized N-heterocyclic carbenes
;
_journal_issue                   36
_journal_name_full               'Dalton Transactions'
_journal_page_first              4893
_journal_page_last               4902
_journal_paper_doi               10.1039/b807830k
_journal_year                    2008
_chemical_formula_sum            'C30 H33 Ag Cl N3'
_chemical_formula_weight         578.91
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.186(4)
_cell_angle_beta                 97.608(4)
_cell_angle_gamma                107.414(5)
_cell_formula_units_Z            2
_cell_length_a                   9.5714(6)
_cell_length_b                   11.4101(6)
_cell_length_c                   13.6747(5)
_cell_measurement_reflns_used    7174
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.5236
_cell_measurement_theta_min      2.9478
_cell_volume                     1346.92(14)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       ω/q-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0481
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13599
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    0.870
_exptl_absorpt_correction_T_max  0.8591
_exptl_absorpt_correction_T_min  0.7989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.633
_refine_diff_density_min         -0.308
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         4737
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0343P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0635
_reflns_number_gt                3750
_reflns_number_total             4737
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b807830k.txt
_cod_data_source_block           4b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1346.92(12)
_cod_database_code               7004491
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.16809(2) 0.24451(2) 0.613408(15) 0.02486(8) Uani 1 1 d . . .
Cl1 Cl 0.41273(8) 0.29254(7) 0.58735(5) 0.02848(17) Uani 1 1 d . . .
N1 N -0.1325(2) 0.0570(2) 0.62267(14) 0.0188(5) Uani 1 1 d . . .
N2 N -0.1713(2) 0.2177(2) 0.58592(15) 0.0222(5) Uani 1 1 d . . .
N3 N -0.0103(2) 0.0474(2) 0.84442(15) 0.0206(5) Uani 1 1 d . . .
C1 C -0.0604(3) 0.1725(3) 0.60997(18) 0.0198(6) Uani 1 1 d . . .
C2 C -0.2853(3) 0.0325(3) 0.60780(18) 0.0242(6) Uani 1 1 d . . .
H2 H -0.3589 -0.0417 0.6129 0.029 Uiso 1 1 calc R . .
C3 C -0.3101(3) 0.1329(3) 0.58490(19) 0.0272(7) Uani 1 1 d . . .
H3 H -0.4044 0.1439 0.5707 0.033 Uiso 1 1 calc R . .
C4 C -0.1470(3) 0.3421(3) 0.5658(2) 0.0303(7) Uani 1 1 d . . .
H4A H -0.0421 0.3993 0.5987 0.036 Uiso 1 1 calc R . .
H4B H -0.2141 0.3831 0.5981 0.036 Uiso 1 1 calc R . .
C5 C -0.1762(3) 0.3298(3) 0.4511(2) 0.0280(7) Uani 1 1 d . . .
C6 C -0.0637(3) 0.3296(3) 0.3972(2) 0.0307(7) Uani 1 1 d . . .
H6 H 0.0325 0.3371 0.4324 0.037 Uiso 1 1 calc R . .
C7 C -0.0893(4) 0.3187(3) 0.2927(2) 0.0356(8) Uani 1 1 d . . .
H7 H -0.0111 0.3186 0.2566 0.043 Uiso 1 1 calc R . .
C8 C -0.2278(4) 0.3080(3) 0.2415(2) 0.0453(9) Uani 1 1 d . . .
H8 H -0.2448 0.3031 0.1703 0.054 Uiso 1 1 calc R . .
C9 C -0.3421(4) 0.3043(4) 0.2929(3) 0.0645(12) Uani 1 1 d . . .
H9 H -0.4393 0.2928 0.2564 0.077 Uiso 1 1 calc R . .
C10 C -0.3163(4) 0.3175(4) 0.3982(2) 0.0502(10) Uani 1 1 d . . .
H10 H -0.3948 0.3180 0.4340 0.060 Uiso 1 1 calc R . .
C11 C -0.0570(3) -0.0261(3) 0.65408(18) 0.0221(6) Uani 1 1 d . . .
H11A H 0.0516 0.0107 0.6565 0.027 Uiso 1 1 calc R . .
H11B H -0.0971 -0.1120 0.6015 0.027 Uiso 1 1 calc R . .
C12 C -0.0773(3) -0.0420(2) 0.76004(18) 0.0184(6) Uani 1 1 d . . .
C13 C -0.1744(3) -0.1687(3) 0.76506(18) 0.0204(6) Uani 1 1 d . . .
C14 C -0.2628(3) -0.2670(3) 0.67660(19) 0.0230(6) Uani 1 1 d . . .
H14 H -0.2682 -0.2514 0.6113 0.028 Uiso 1 1 calc R . .
C15 C -0.3432(3) -0.3874(3) 0.6822(2) 0.0264(6) Uani 1 1 d . . .
H15 H -0.4024 -0.4539 0.6211 0.032 Uiso 1 1 calc R . .
C16 C -0.3367(3) -0.4102(3) 0.7772(2) 0.0277(6) Uani 1 1 d . . .
H16 H -0.3903 -0.4929 0.7814 0.033 Uiso 1 1 calc R . .
C17 C -0.2519(3) -0.3125(3) 0.8660(2) 0.0292(7) Uani 1 1 d . . .
H17 H -0.2490 -0.3278 0.9313 0.035 Uiso 1 1 calc R . .
C18 C -0.1715(3) -0.1926(3) 0.8602(2) 0.0250(6) Uani 1 1 d . . .
H18 H -0.1138 -0.1260 0.9217 0.030 Uiso 1 1 calc R . .
C19 C 0.0936(3) 0.1687(3) 0.84767(17) 0.0196(6) Uani 1 1 d . . .
C20 C 0.2419(3) 0.1801(3) 0.84273(18) 0.0235(6) Uani 1 1 d . . .
C21 C 0.2957(3) 0.0659(3) 0.8284(2) 0.0292(7) Uani 1 1 d . . .
H21 H 0.2048 -0.0139 0.8000 0.035 Uiso 1 1 calc R . .
C22 C 0.3718(4) 0.0627(4) 0.9317(2) 0.0581(11) Uani 1 1 d . . .
H22A H 0.4588 0.1419 0.9637 0.087 Uiso 1 1 calc R . .
H22B H 0.4051 -0.0119 0.9211 0.087 Uiso 1 1 calc R . .
H22C H 0.3007 0.0559 0.9772 0.087 Uiso 1 1 calc R . .
C23 C 0.3980(4) 0.0611(4) 0.7523(3) 0.0589(11) Uani 1 1 d . . .
H23A H 0.3485 0.0658 0.6866 0.088 Uiso 1 1 calc R . .
H23B H 0.4188 -0.0197 0.7405 0.088 Uiso 1 1 calc R . .
H23C H 0.4926 0.1340 0.7808 0.088 Uiso 1 1 calc R . .
C24 C 0.3423(3) 0.3027(3) 0.8548(2) 0.0309(7) Uani 1 1 d . . .
H24 H 0.4436 0.3133 0.8514 0.037 Uiso 1 1 calc R . .
C25 C 0.2977(3) 0.4092(3) 0.8715(2) 0.0334(7) Uani 1 1 d . . .
H25 H 0.3682 0.4919 0.8801 0.040 Uiso 1 1 calc R . .
C26 C 0.1506(3) 0.3950(3) 0.87548(19) 0.0272(7) Uani 1 1 d . . .
H26 H 0.1205 0.4685 0.8859 0.033 Uiso 1 1 calc R . .
C27 C 0.0452(3) 0.2757(3) 0.86466(18) 0.0223(6) Uani 1 1 d . . .
C28 C -0.1158(3) 0.2590(3) 0.87095(19) 0.0258(6) Uani 1 1 d . . .
H28 H -0.1810 0.1782 0.8156 0.031 Uiso 1 1 calc R . .
C29 C -0.1434(3) 0.2404(3) 0.9751(2) 0.0334(7) Uani 1 1 d . . .
H29A H -0.1188 0.1656 0.9839 0.050 Uiso 1 1 calc R . .
H29B H -0.2492 0.2261 0.9765 0.050 Uiso 1 1 calc R . .
H29C H -0.0798 0.3175 1.0314 0.050 Uiso 1 1 calc R . .
C30 C -0.1662(3) 0.3687(3) 0.8526(2) 0.0354(7) Uani 1 1 d . . .
H30A H -0.1154 0.4467 0.9113 0.053 Uiso 1 1 calc R . .
H30B H -0.2751 0.3443 0.8456 0.053 Uiso 1 1 calc R . .
H30C H -0.1403 0.3852 0.7891 0.053 Uiso 1 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'
Cl Cl 0.1484 0.1585 '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'
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
C1 Ag1 Cl1 168.81(7) . . ?
C1 N1 C2 110.9(2) . . ?
C1 N1 C11 124.2(2) . . ?
C2 N1 C11 124.7(2) . . ?
C1 N2 C3 111.2(2) . . ?
C1 N2 C4 124.1(2) . . ?
C3 N2 C4 124.6(2) . . ?
C12 N3 C19 122.4(2) . . ?
N2 C1 N1 104.2(2) . . ?
N2 C1 Ag1 130.57(19) . . ?
N1 C1 Ag1 124.93(18) . . ?
C3 C2 N1 107.0(2) . . ?
C3 C2 H2 126.5 . . ?
N1 C2 H2 126.5 . . ?
C2 C3 N2 106.6(2) . . ?
C2 C3 H3 126.7 . . ?
N2 C3 H3 126.7 . . ?
N2 C4 C5 112.9(2) . . ?
N2 C4 H4A 109.0 . . ?
C5 C4 H4A 109.0 . . ?
N2 C4 H4B 109.0 . . ?
C5 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C6 C5 C10 118.7(3) . . ?
C6 C5 C4 120.6(3) . . ?
C10 C5 C4 120.7(3) . . ?
C5 C6 C7 121.0(3) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 H6 119.5 . . ?
C8 C7 C6 119.8(3) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C7 C8 C9 120.1(3) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 C10 120.3(3) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C5 C10 C9 120.1(3) . . ?
C5 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
N1 C11 C12 112.7(2) . . ?
N1 C11 H11A 109.0 . . ?
C12 C11 H11A 109.0 . . ?
N1 C11 H11B 109.0 . . ?
C12 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
N3 C12 C13 118.5(2) . . ?
N3 C12 C11 122.6(2) . . ?
C13 C12 C11 118.9(2) . . ?
C14 C13 C18 118.5(3) . . ?
C14 C13 C12 121.9(2) . . ?
C18 C13 C12 119.5(2) . . ?
C15 C14 C13 121.0(2) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C17 C16 C15 119.9(3) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C18 C17 C16 120.3(3) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C13 120.6(3) . . ?
C17 C18 H18 119.7 . . ?
C13 C18 H18 119.7 . . ?
C20 C19 C27 122.2(2) . . ?
C20 C19 N3 119.5(2) . . ?
C27 C19 N3 118.1(2) . . ?
C24 C20 C19 117.4(2) . . ?
C24 C20 C21 120.3(2) . . ?
C19 C20 C21 122.3(2) . . ?
C22 C21 C20 110.6(2) . . ?
C22 C21 C23 110.5(3) . . ?
C20 C21 C23 113.7(2) . . ?
C22 C21 H21 107.3 . . ?
C20 C21 H21 107.3 . . ?
C23 C21 H21 107.3 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C20 121.6(3) . . ?
C25 C24 H24 119.2 . . ?
C20 C24 H24 119.2 . . ?
C26 C25 C24 119.8(3) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C27 121.5(3) . . ?
C25 C26 H26 119.2 . . ?
C27 C26 H26 119.2 . . ?
C26 C27 C19 117.5(2) . . ?
C26 C27 C28 122.2(2) . . ?
C19 C27 C28 120.3(2) . . ?
C27 C28 C30 114.2(2) . . ?
C27 C28 C29 110.8(2) . . ?
C30 C28 C29 109.8(2) . . ?
C27 C28 H28 107.3 . . ?
C30 C28 H28 107.3 . . ?
C29 C28 H28 107.3 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 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 C1 2.083(3) . ?
Ag1 Cl1 2.3364(7) . ?
N1 C1 1.357(3) . ?
N1 C2 1.381(3) . ?
N1 C11 1.462(3) . ?
N2 C1 1.349(3) . ?
N2 C3 1.386(4) . ?
N2 C4 1.468(3) . ?
N3 C12 1.273(3) . ?
N3 C19 1.428(3) . ?
C2 C3 1.335(4) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.519(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.383(4) . ?
C5 C10 1.386(4) . ?
C6 C7 1.386(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.371(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.372(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.392(4) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.534(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.490(4) . ?
C13 C14 1.391(4) . ?
C13 C18 1.392(4) . ?
C14 C15 1.384(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.384(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.381(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.399(4) . ?
C19 C27 1.409(4) . ?
C20 C24 1.396(4) . ?
C20 C21 1.518(4) . ?
C21 C22 1.515(4) . ?
C21 C23 1.523(4) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.382(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.379(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.390(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.512(4) . ?
C28 C30 1.532(4) . ?
C28 C29 1.535(4) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
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
C3 N2 C1 N1 0.8(3) . . . . ?
C4 N2 C1 N1 179.5(2) . . . . ?
C3 N2 C1 Ag1 174.66(18) . . . . ?
C4 N2 C1 Ag1 -6.6(3) . . . . ?
C2 N1 C1 N2 -0.7(3) . . . . ?
C11 N1 C1 N2 -177.2(2) . . . . ?
C2 N1 C1 Ag1 -175.05(16) . . . . ?
C11 N1 C1 Ag1 8.4(3) . . . . ?
Cl1 Ag1 C1 N2 -105.1(4) . . . . ?
Cl1 Ag1 C1 N1 67.7(4) . . . . ?
C1 N1 C2 C3 0.4(3) . . . . ?
C11 N1 C2 C3 176.9(2) . . . . ?
N1 C2 C3 N2 0.1(3) . . . . ?
C1 N2 C3 C2 -0.6(3) . . . . ?
C4 N2 C3 C2 -179.3(2) . . . . ?
C1 N2 C4 C5 99.0(3) . . . . ?
C3 N2 C4 C5 -82.4(3) . . . . ?
N2 C4 C5 C6 -86.7(3) . . . . ?
N2 C4 C5 C10 92.7(3) . . . . ?
C10 C5 C6 C7 0.7(5) . . . . ?
C4 C5 C6 C7 -179.9(3) . . . . ?
C5 C6 C7 C8 0.0(5) . . . . ?
C6 C7 C8 C9 -1.9(5) . . . . ?
C7 C8 C9 C10 3.0(6) . . . . ?
C6 C5 C10 C9 0.4(5) . . . . ?
C4 C5 C10 C9 -179.1(3) . . . . ?
C8 C9 C10 C5 -2.2(6) . . . . ?
C1 N1 C11 C12 115.0(3) . . . . ?
C2 N1 C11 C12 -61.1(3) . . . . ?
C19 N3 C12 C13 175.3(2) . . . . ?
C19 N3 C12 C11 -2.2(4) . . . . ?
N1 C11 C12 N3 -73.1(3) . . . . ?
N1 C11 C12 C13 109.5(2) . . . . ?
N3 C12 C13 C14 173.6(2) . . . . ?
C11 C12 C13 C14 -8.9(3) . . . . ?
N3 C12 C13 C18 -9.8(4) . . . . ?
C11 C12 C13 C18 167.8(2) . . . . ?
C18 C13 C14 C15 -1.8(4) . . . . ?
C12 C13 C14 C15 174.9(2) . . . . ?
C13 C14 C15 C16 0.6(4) . . . . ?
C14 C15 C16 C17 0.9(4) . . . . ?
C15 C16 C17 C18 -1.1(4) . . . . ?
C16 C17 C18 C13 -0.1(4) . . . . ?
C14 C13 C18 C17 1.6(4) . . . . ?
C12 C13 C18 C17 -175.2(2) . . . . ?
C12 N3 C19 C20 -81.5(3) . . . . ?
C12 N3 C19 C27 103.8(3) . . . . ?
C27 C19 C20 C24 -0.4(4) . . . . ?
N3 C19 C20 C24 -174.8(2) . . . . ?
C27 C19 C20 C21 177.7(2) . . . . ?
N3 C19 C20 C21 3.2(3) . . . . ?
C24 C20 C21 C22 80.5(3) . . . . ?
C19 C20 C21 C22 -97.5(3) . . . . ?
C24 C20 C21 C23 -44.4(4) . . . . ?
C19 C20 C21 C23 137.6(3) . . . . ?
C19 C20 C24 C25 0.3(4) . . . . ?
C21 C20 C24 C25 -177.8(3) . . . . ?
C20 C24 C25 C26 -0.6(4) . . . . ?
C24 C25 C26 C27 1.0(4) . . . . ?
C25 C26 C27 C19 -1.0(4) . . . . ?
C25 C26 C27 C28 178.8(2) . . . . ?
C20 C19 C27 C26 0.7(4) . . . . ?
N3 C19 C27 C26 175.2(2) . . . . ?
C20 C19 C27 C28 -179.1(2) . . . . ?
N3 C19 C27 C28 -4.6(3) . . . . ?
C26 C27 C28 C30 20.0(3) . . . . ?
C19 C27 C28 C30 -160.2(2) . . . . ?
C26 C27 C28 C29 -104.5(3) . . . . ?
C19 C27 C28 C29 75.3(3) . . . . ?
