#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:43:06 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179152 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/13/4311364.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_4311364
loop_
_publ_author_name
'Hui-Bo Zhou'
'Shu-Ping Wang'
'Wen Dong'
'Zhan-Quan Liu'
'Qing-Lun Wang'
'Dai-Zheng Liao'
'Zong-Hui Jiang'
'Shi-Ping Yan'
'Peng Cheng'
_publ_section_title
;
 [CoAu2(CN)4(NITpPy)2(H2O)2]n: A New 2-D Interdigitating Complex
 Containing Dicyanoaurate(I) Anion, a Radical, and Cobalt(II) Ion
 Incorporating Gold...Gold and Hydrogen Bonding Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4552
_journal_page_last               4554
_journal_paper_doi               10.1021/ic049751i
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C28 H36 Au2 Co N10 O6'
_chemical_formula_weight         1061.53
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.541(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.944(5)
_cell_length_b                   26.094(12)
_cell_length_c                   12.596(6)
_cell_measurement_reflns_used    839
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.67
_cell_measurement_theta_min      3.12
_cell_volume                     3346(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0969
_diffrn_reflns_av_sigmaI/netI    0.1210
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7676
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    9.294
_exptl_absorpt_correction_T_max  0.458324
_exptl_absorpt_correction_T_min  0.254851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    2.107
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2028
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.434
_refine_diff_density_min         -2.653
_refine_diff_density_rms         0.275
_refine_ls_extinction_coef       0.00025(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         2911
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0939
_refine_ls_R_factor_gt           0.0624
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0638P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1384
_refine_ls_wR_factor_ref         0.1568
_reflns_number_gt                1961
_reflns_number_total             2911
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049751isi20040225_110738.cif
_cod_data_source_block           030929c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' 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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4311364
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.39105(5) 0.128451(18) 0.11661(5) 0.0398(3) Uani 1 1 d . . .
Co1 Co 0.0000 0.13054(8) 0.2500 0.0299(5) Uani 1 2 d S . .
O1 O 0.0249(11) -0.1298(3) 0.4378(9) 0.052(3) Uani 1 1 d . . .
O2 O 0.2222(10) 0.3886(4) 0.2920(11) 0.069(3) Uani 1 1 d . . .
O3 O 0.1171(8) 0.1316(3) 0.4210(8) 0.037(2) Uani 1 1 d . . .
H3A H 0.0797 0.1340 0.4691 0.045 Uiso 1 1 d R . .
H3B H 0.2000 0.1330 0.4545 0.045 Uiso 1 1 d R . .
N1 N 0.1635(11) 0.1305(4) 0.2068(10) 0.040(3) Uani 1 1 d . . .
N2 N 0.6162(13) 0.1261(5) 0.0247(12) 0.058(4) Uani 1 1 d . . .
N3 N 0.0000 0.0467(5) 0.2500 0.033(3) Uani 1 2 d S . .
N4 N 0.0155(10) -0.1437(3) 0.3388(9) 0.030(2) Uani 1 1 d . . .
N5 N 0.0000 0.2126(5) 0.2500 0.036(4) Uani 1 2 d S . .
N6 N 0.1047(10) 0.4040(4) 0.2699(10) 0.040(3) Uani 1 1 d . . .
C1 C 0.2479(12) 0.1293(5) 0.1737(12) 0.034(3) Uani 1 1 d . . .
C2 C 0.5300(14) 0.1277(5) 0.0543(12) 0.044(3) Uani 1 1 d . . .
C3 C -0.0305(19) 0.0208(5) 0.1568(14) 0.066(5) Uani 1 1 d . . .
H3 H -0.0542 0.0389 0.0885 0.079 Uiso 1 1 calc R . .
C4 C -0.0302(19) -0.0313(5) 0.1520(13) 0.060(5) Uani 1 1 d . . .
H4 H -0.0504 -0.0480 0.0825 0.072 Uiso 1 1 calc R . .
C5 C 0.0000 -0.0585(6) 0.2500 0.029(4) Uani 1 2 d S . .
C6 C 0.0000 -0.1141(6) 0.2500 0.036(4) Uani 1 2 d S . .
C7 C 0.0329(13) -0.1988(5) 0.3169(12) 0.043(3) Uani 1 1 d . . .
C8 C 0.1825(15) -0.2074(6) 0.3598(15) 0.058(4) Uani 1 1 d . . .
H8A H 0.2199 -0.1858 0.3180 0.087 Uiso 1 1 calc R . .
H8B H 0.2002 -0.2426 0.3487 0.087 Uiso 1 1 calc R . .
H8C H 0.2207 -0.1992 0.4396 0.087 Uiso 1 1 calc R . .
C9 C -0.0323(18) -0.2329(6) 0.3778(15) 0.072(5) Uani 1 1 d . . .
H9A H 0.0030 -0.2255 0.4581 0.108 Uiso 1 1 calc R . .
H9B H -0.0158 -0.2682 0.3658 0.108 Uiso 1 1 calc R . .
H9C H -0.1252 -0.2267 0.3482 0.108 Uiso 1 1 calc R . .
C10 C 0.1000(13) 0.2395(5) 0.3160(13) 0.046(4) Uani 1 1 d . . .
H10 H 0.1730 0.2217 0.3638 0.055 Uiso 1 1 calc R . .
C11 C 0.1053(13) 0.2921(5) 0.3200(13) 0.047(4) Uani 1 1 d . . .
H11 H 0.1794 0.3087 0.3696 0.056 Uiso 1 1 calc R . .
C12 C 0.0000 0.3196(6) 0.2500 0.036(4) Uani 1 2 d S . .
C13 C 0.0000 0.3741(6) 0.2500 0.033(4) Uani 1 2 d S . .
C14 C 0.0746(14) 0.4599(4) 0.2627(13) 0.043(3) Uani 1 1 d . . .
C15 C 0.1127(19) 0.4802(6) 0.1668(15) 0.069(5) Uani 1 1 d . . .
H15A H 0.2050 0.4749 0.1850 0.104 Uiso 1 1 calc R . .
H15B H 0.0935 0.5161 0.1570 0.104 Uiso 1 1 calc R . .
H15C H 0.0639 0.4624 0.0974 0.104 Uiso 1 1 calc R . .
C16 C 0.1616(16) 0.4837(6) 0.3732(14) 0.060(5) Uani 1 1 d . . .
H16A H 0.1463 0.4675 0.4356 0.091 Uiso 1 1 calc R . .
H16B H 0.1421 0.5196 0.3726 0.091 Uiso 1 1 calc R . .
H16C H 0.2519 0.4793 0.3821 0.091 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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 Au1 C2 178.1(5) . . ?
C1 Au1 Au1 90.1(4) . 2_655 ?
C2 Au1 Au1 91.8(4) . 2_655 ?
N1 Co1 N1 180.0(6) 2 . ?
N1 Co1 O3 90.5(4) 2 2 ?
N1 Co1 O3 89.5(4) . 2 ?
N1 Co1 O3 89.5(4) 2 . ?
N1 Co1 O3 90.5(4) . . ?
O3 Co1 O3 178.4(5) 2 . ?
N1 Co1 N5 90.0(3) 2 . ?
N1 Co1 N5 90.0(3) . . ?
O3 Co1 N5 89.2(2) 2 . ?
O3 Co1 N5 89.2(2) . . ?
N1 Co1 N3 90.0(3) 2 . ?
N1 Co1 N3 90.0(3) . . ?
O3 Co1 N3 90.8(2) 2 . ?
O3 Co1 N3 90.8(2) . . ?
N5 Co1 N3 180.000(1) . . ?
Co1 O3 H3A 118.0 . . ?
Co1 O3 H3B 131.2 . . ?
H3A O3 H3B 110.6 . . ?
C1 N1 Co1 174.3(12) . . ?
C3 N3 C3 116.7(17) 2 . ?
C3 N3 Co1 121.6(8) 2 . ?
C3 N3 Co1 121.6(8) . . ?
O1 N4 C6 127.4(10) . . ?
O1 N4 C7 119.2(10) . . ?
C6 N4 C7 113.2(11) . . ?
C10 N5 C10 115.1(15) . 2 ?
C10 N5 Co1 122.4(7) . . ?
C10 N5 Co1 122.4(7) 2 . ?
O2 N6 C13 125.7(10) . . ?
O2 N6 C14 120.3(10) . . ?
C13 N6 C14 114.0(10) . . ?
N1 C1 Au1 178.9(12) . . ?
N2 C2 Au1 175.5(13) . . ?
N3 C3 C4 124.0(15) . . ?
N3 C3 H3 118.0 . . ?
C4 C3 H3 118.0 . . ?
C5 C4 C3 119.2(14) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C4 116.8(16) 2 . ?
C4 C5 C6 121.6(8) 2 . ?
C4 C5 C6 121.6(8) . . ?
N4 C6 N4 108.2(15) 2 . ?
N4 C6 C5 125.9(7) 2 . ?
N4 C6 C5 125.9(7) . . ?
N4 C7 C9 111.0(12) . . ?
N4 C7 C8 105.5(11) . . ?
C9 C7 C8 112.0(12) . . ?
N4 C7 C7 99.1(7) . 2 ?
C9 C7 C7 115.3(12) . 2 ?
C8 C7 C7 112.8(14) . 2 ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N5 C10 C11 125.0(13) . . ?
N5 C10 H10 117.5 . . ?
C11 C10 H10 117.5 . . ?
C12 C11 C10 119.1(13) . . ?
C12 C11 H11 120.4 . . ?
C10 C11 H11 120.4 . . ?
C11 C12 C11 116.6(16) 2 . ?
C11 C12 C13 121.7(8) 2 . ?
C11 C12 C13 121.7(8) . . ?
N6 C13 N6 108.2(13) . 2 ?
N6 C13 C12 125.9(6) . . ?
N6 C13 C12 125.9(6) 2 . ?
N6 C14 C16 107.4(11) . . ?
N6 C14 C15 105.8(12) . . ?
C16 C14 C15 109.2(13) . . ?
N6 C14 C14 101.9(7) . 2 ?
C16 C14 C14 117.0(15) . 2 ?
C15 C14 C14 114.5(15) . 2 ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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
Au1 C1 1.949(12) . ?
Au1 C2 1.950(15) . ?
Au1 Au1 3.3308(17) 2_655 ?
Co1 N1 2.053(12) 2 ?
Co1 N1 2.053(12) . ?
Co1 O3 2.063(9) 2 ?
Co1 O3 2.063(9) . ?
Co1 N5 2.142(13) . ?
Co1 N3 2.187(13) . ?
O1 N4 1.266(14) . ?
O2 N6 1.277(13) . ?
O3 H3A 0.8482 . ?
O3 H3B 0.8499 . ?
N1 C1 1.144(18) . ?
N2 C2 1.136(18) . ?
N3 C3 1.288(16) 2 ?
N3 C3 1.288(16) . ?
N4 C6 1.318(14) . ?
N4 C7 1.490(15) . ?
N5 C10 1.309(15) . ?
N5 C10 1.309(15) 2 ?
N6 C13 1.332(12) . ?
N6 C14 1.490(15) . ?
C3 C4 1.361(19) . ?
C3 H3 0.9300 . ?
C4 C5 1.355(16) . ?
C4 H4 0.9300 . ?
C5 C4 1.355(16) 2 ?
C5 C6 1.45(2) . ?
C6 N4 1.318(14) 2 ?
C7 C9 1.51(2) . ?
C7 C8 1.54(2) . ?
C7 C7 1.57(3) 2 ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.372(18) . ?
C10 H10 0.9300 . ?
C11 C12 1.370(15) . ?
C11 H11 0.9300 . ?
C12 C11 1.370(15) 2 ?
C12 C13 1.42(2) . ?
C13 N6 1.332(12) 2 ?
C14 C16 1.50(2) . ?
C14 C15 1.51(2) . ?
C14 C14 1.55(3) 2 ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 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
N1 Co1 N1 C1 73(100) 2 . . . ?
O3 Co1 N1 C1 -18(11) 2 . . . ?
O3 Co1 N1 C1 164(11) . . . . ?
N5 Co1 N1 C1 -107(11) . . . . ?
N3 Co1 N1 C1 73(11) . . . . ?
N1 Co1 N3 C3 -70.6(11) 2 . . 2 ?
N1 Co1 N3 C3 109.4(11) . . . 2 ?
O3 Co1 N3 C3 -161.2(11) 2 . . 2 ?
O3 Co1 N3 C3 18.8(11) . . . 2 ?
N5 Co1 N3 C3 -85(100) . . . 2 ?
N1 Co1 N3 C3 109.4(11) 2 . . . ?
N1 Co1 N3 C3 -70.6(11) . . . . ?
O3 Co1 N3 C3 18.8(11) 2 . . . ?
O3 Co1 N3 C3 -161.2(11) . . . . ?
N5 Co1 N3 C3 95(100) . . . . ?
N1 Co1 N5 C10 121.3(9) 2 . . . ?
N1 Co1 N5 C10 -58.7(9) . . . . ?
O3 Co1 N5 C10 -148.2(8) 2 . . . ?
O3 Co1 N5 C10 31.8(8) . . . . ?
N3 Co1 N5 C10 136(100) . . . . ?
N1 Co1 N5 C10 -58.7(9) 2 . . 2 ?
N1 Co1 N5 C10 121.3(9) . . . 2 ?
O3 Co1 N5 C10 31.8(8) 2 . . 2 ?
O3 Co1 N5 C10 -148.2(8) . . . 2 ?
N3 Co1 N5 C10 -44(100) . . . 2 ?
Co1 N1 C1 Au1 91(75) . . . . ?
C2 Au1 C1 N1 -74(78) . . . . ?
Au1 Au1 C1 N1 106(73) 2_655 . . . ?
C1 Au1 C2 N2 -161(16) . . . . ?
Au1 Au1 C2 N2 20(19) 2_655 . . . ?
C3 N3 C3 C4 -1.0(15) 2 . . . ?
Co1 N3 C3 C4 179.0(15) . . . . ?
N3 C3 C4 C5 2(3) . . . . ?
C3 C4 C5 C4 -0.9(13) . . . 2 ?
C3 C4 C5 C6 179.1(13) . . . . ?
O1 N4 C6 N4 -175.2(13) . . . 2 ?
C7 N4 C6 N4 9.5(6) . . . 2 ?
O1 N4 C6 C5 4.8(13) . . . . ?
C7 N4 C6 C5 -170.5(6) . . . . ?
C4 C5 C6 N4 -173.1(11) 2 . . 2 ?
C4 C5 C6 N4 6.9(11) . . . 2 ?
C4 C5 C6 N4 6.9(11) 2 . . . ?
C4 C5 C6 N4 -173.1(11) . . . . ?
O1 N4 C7 C9 40.1(16) . . . . ?
C6 N4 C7 C9 -144.2(11) . . . . ?
O1 N4 C7 C8 -81.3(14) . . . . ?
C6 N4 C7 C8 94.3(12) . . . . ?
O1 N4 C7 C7 161.8(12) . . . 2 ?
C6 N4 C7 C7 -22.5(15) . . . 2 ?
C10 N5 C10 C11 0.3(12) 2 . . . ?
Co1 N5 C10 C11 -179.7(12) . . . . ?
N5 C10 C11 C12 -1(2) . . . . ?
C10 C11 C12 C11 0.3(11) . . . 2 ?
C10 C11 C12 C13 -179.7(11) . . . . ?
O2 N6 C13 N6 -179.9(15) . . . 2 ?
C14 N6 C13 N6 -0.8(7) . . . 2 ?
O2 N6 C13 C12 0.1(15) . . . . ?
C14 N6 C13 C12 179.2(7) . . . . ?
C11 C12 C13 N6 -147.7(10) 2 . . . ?
C11 C12 C13 N6 32.3(10) . . . . ?
C11 C12 C13 N6 32.3(10) 2 . . 2 ?
C11 C12 C13 N6 -147.7(10) . . . 2 ?
O2 N6 C14 C16 -55.5(17) . . . . ?
C13 N6 C14 C16 125.3(12) . . . . ?
O2 N6 C14 C15 61.0(17) . . . . ?
C13 N6 C14 C15 -118.2(12) . . . . ?
O2 N6 C14 C14 -179.0(14) . . . 2 ?
C13 N6 C14 C14 1.8(18) . . . 2 ?
