#------------------------------------------------------------------------------
#$Date: 2016-11-08 21:26:44 +0200 (Tue, 08 Nov 2016) $
#$Revision: 188067 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/62/7226264.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_7226264
loop_
_publ_author_name
'Strelnik, Igor D.'
'Gurzhiy, Vladislav V.'
'Sizov, Vladimir V.'
'Musina, Elvira I.'
'Karasik, Andrey A.'
'Tunik, Sergey P.'
'Grachova, Elena V.'
_publ_section_title
;
 A stimuli-responsive Au(i) complex based on an aminomethylphosphine
 template: synthesis, crystalline phases and luminescence properties
;
_journal_issue                   39
_journal_name_full               CrystEngComm
_journal_page_first              7629
_journal_paper_doi               10.1039/C6CE01272H
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C28 H30 Au2 Cl2 N4 P2, C3 H6 O'
_chemical_formula_sum            'C31 H36 Au2 Cl2 N4 O P2'
_chemical_formula_weight         1007.41
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2014-02-07
_audit_creation_method
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_audit_update_record
;
2014-10-01 deposited with the CCDC.
2016-08-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.988(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.8698(2)
_cell_length_b                   10.6900(3)
_cell_length_c                   17.5273(5)
_cell_measurement_reflns_used    5776
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.5170
_cell_measurement_theta_min      3.0350
_cell_volume                     1649.56(8)
_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)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.2096
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0794709000
_diffrn_orient_matrix_UB_12      -0.0101716000
_diffrn_orient_matrix_UB_13      -0.0074117000
_diffrn_orient_matrix_UB_21      -0.0126935000
_diffrn_orient_matrix_UB_22      0.0652114000
_diffrn_orient_matrix_UB_23      0.0026154000
_diffrn_orient_matrix_UB_31      0.0038200000
_diffrn_orient_matrix_UB_32      0.0061737000
_diffrn_orient_matrix_UB_33      -0.0400499000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            13247
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.495
_diffrn_reflns_theta_min         2.997
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    9.174
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92361
_exptl_absorpt_correction_type   multi-scan
_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)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'translucent colorless'
_exptl_crystal_density_diffrn    2.028
_exptl_crystal_description       prism
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.792
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         3693
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0342
_refine_ls_R_factor_gt           0.0262
_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)+(0.0144P)²+1.5866P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0472
_refine_ls_wR_factor_ref         0.0494
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3217
_reflns_number_total             3693
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6ce01272h2.cif
_cod_data_source_block           sid_1
_cod_depositor_comments
'Adding full bibliography for 7226264--7226266.cif.'
_cod_database_code               7226264
_shelxl_version_number           2013-4
_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 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C5A) = Uanis(C5) = Uanis(C4A) = Uanis(C4) = Uanis(C3A) = Uanis(C3) =
Uanis(C2A) = Uanis(C2)
Uanis(N2) = Uanis(N2A)
3. Others
 Sof(N2A)=Sof(C2A)=Sof(H2A)=Sof(C3A)=Sof(H3A)=Sof(C4A)=Sof(H4A)=Sof(C5A)=
 Sof(H5A)=1-FVAR(1)
 Sof(N2)=Sof(C4)=Sof(H4)=Sof(C2)=Sof(H2)=Sof(C3)=Sof(H3)=Sof(C5)=Sof(H5)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C1(H1A,H1B)
4.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C13(H13), C9(H9), C12(H12), C4(H4), C2(H2), C3(H3), C5(H5),
 C2A(H2A), C3A(H3A), C4A(H4A), C5A(H5A)
4.c Fitted hexagon refined as free rotating group:
 N2A(C2A,C3A,C4A,C5A,C6)
4.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C14(H14A,H14B,H14C)
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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
Au1 Au 0.28551(2) 0.83803(2) 0.32290(2) 0.01664(5) Uani 1 1 d . . . . .
P1 P 0.23264(11) 1.04019(10) 0.30501(6) 0.0137(2) Uani 1 1 d . . . . .
Cl1 Cl 0.34235(13) 0.63336(10) 0.35213(7) 0.0322(3) Uani 1 1 d . . . . .
N1 N 0.0703(3) 1.0339(3) 0.15908(17) 0.0138(7) Uani 1 1 d . . . . .
C8 C 0.1004(4) 0.9266(4) 0.1167(2) 0.0138(8) Uani 1 1 d . . . . .
C7 C -0.0738(4) 1.0981(4) 0.1442(2) 0.0148(8) Uani 1 1 d . . . . .
H7A H -0.1063 1.0943 0.0894 0.018 Uiso 1 1 calc R . . . .
H7B H -0.0571 1.1856 0.1574 0.018 Uiso 1 1 calc R . . . .
C10 C 0.0174(4) 0.7670(4) 0.0224(2) 0.0178(9) Uani 1 1 d . . . . .
H10 H -0.0600 0.7325 -0.0117 0.021 Uiso 1 1 calc R . . . .
C16 C 0.0674(5) 0.4565(4) 0.6896(2) 0.0305(11) Uani 1 1 d . . . . .
H16A H 0.1522 0.4086 0.7131 0.046 Uiso 1 1 calc GR . . . .
H16B H 0.1011 0.5132 0.6528 0.046 Uiso 1 1 calc GR . . . .
H16C H -0.0078 0.4011 0.6643 0.046 Uiso 1 1 calc GR . . . .
N2 N 0.4577(9) 1.0846(8) 0.4149(4) 0.0223(13) Uani 0.582(10) 1 d . . P A 1
C14 C 0.1916(5) 0.5975(4) -0.0169(3) 0.0262(10) Uani 1 1 d . . . . .
H14A H 0.1381 0.5267 0.0001 0.039 Uiso 1 1 calc GR . . . .
H14B H 0.2987 0.5804 -0.0105 0.039 Uiso 1 1 calc GR . . . .
H14C H 0.1580 0.6133 -0.0702 0.039 Uiso 1 1 calc GR . . . .
C15 C 0.0000 0.5291(6) 0.7500 0.0207(13) Uani 1 2 d S T P . .
C1 C 0.1933(4) 1.0991(4) 0.2054(2) 0.0152(8) Uani 1 1 d . . . . .
H1A H 0.1681 1.1873 0.2070 0.018 Uiso 1 1 calc R . . . .
H1B H 0.2849 1.0915 0.1806 0.018 Uiso 1 1 calc R . . . .
C13 C 0.2438(4) 0.8700(4) 0.1247(2) 0.0174(9) Uani 1 1 d . . . . .
H13 H 0.3214 0.9029 0.1593 0.021 Uiso 1 1 calc R . . . .
C11 C 0.1604(5) 0.7109(4) 0.0301(2) 0.0163(8) Uani 1 1 d . . . . .
C9 C -0.0132(4) 0.8730(4) 0.0640(2) 0.0153(8) Uani 1 1 d . . . . .
H9 H -0.1096 0.9085 0.0568 0.018 Uiso 1 1 calc R . . . .
C12 C 0.2713(4) 0.7656(4) 0.0819(2) 0.0171(9) Uani 1 1 d . . . . .
H12 H 0.3682 0.7308 0.0882 0.021 Uiso 1 1 calc R . . . .
O1 O 0.0000 0.6409(4) 0.7500 0.0579(18) Uani 1 2 d S T P . .
C4 C 0.5127(9) 1.3328(7) 0.3749(6) 0.0199(7) Uani 0.582(10) 1 d . . P A 1
H4 H 0.5327 1.4144 0.3607 0.024 Uiso 0.582(10) 1 calc R . P A 1
C2 C 0.5594(9) 1.1619(9) 0.4588(4) 0.0199(7) Uani 0.582(10) 1 d . . P A 1
H2 H 0.6103 1.1299 0.5041 0.024 Uiso 0.582(10) 1 calc R . P A 1
C3 C 0.5897(9) 1.2836(9) 0.4393(5) 0.0199(7) Uani 0.582(10) 1 d . . P A 1
H3 H 0.6616 1.3309 0.4699 0.024 Uiso 0.582(10) 1 calc R . P A 1
C5 C 0.4031(9) 1.2624(7) 0.3292(5) 0.0199(7) Uani 0.582(10) 1 d . . P A 1
H5 H 0.3475 1.2968 0.2858 0.024 Uiso 0.582(10) 1 calc R . P A 1
N2A N 0.4730(7) 1.1178(7) 0.4183(3) 0.0223(13) Uani 0.418(10) 1 d . . P A 2
C2A C 0.5749(8) 1.2077(10) 0.4503(4) 0.0199(7) Uani 0.418(10) 1 d G . P A 2
H2A H 0.6366 1.1911 0.4959 0.024 Uiso 0.418(10) 1 calc R . P A 2
C3A C 0.5846(8) 1.3226(8) 0.4140(6) 0.0199(7) Uani 0.418(10) 1 d G . P A 2
H3A H 0.6528 1.3827 0.4353 0.024 Uiso 0.418(10) 1 calc R . P A 2
C4A C 0.4923(10) 1.3474(5) 0.3457(7) 0.0199(7) Uani 0.418(10) 1 d G . P A 2
H4A H 0.4988 1.4243 0.3215 0.024 Uiso 0.418(10) 1 calc R . P A 2
C5A C 0.3904(8) 1.2575(5) 0.3138(4) 0.0199(7) Uani 0.418(10) 1 d G . P A 2
H5A H 0.3287 1.2741 0.2682 0.024 Uiso 0.418(10) 1 calc R . P A 2
C6 C 0.3808(4) 1.1426(3) 0.3501(2) 0.0163(8) Uani 1 1 d G . . . .
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'
P P 0.1023 0.0942 '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'
Au Au -2.0133 8.8022 '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'
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
P1 Au1 Cl1 175.20(4) . .
C7 P1 Au1 114.48(13) 2 .
C1 P1 Au1 118.45(13) . .
C1 P1 C7 105.75(18) . 2
C6 P1 Au1 113.29(14) . .
C6 P1 C7 98.09(17) . 2
C6 P1 C1 104.40(18) . .
C8 N1 C7 120.7(3) . .
C8 N1 C1 120.4(3) . .
C7 N1 C1 117.3(3) . .
C13 C8 N1 121.8(4) . .
C13 C8 C9 117.4(4) . .
C9 C8 N1 120.8(3) . .
P1 C7 H7A 108.0 2 .
P1 C7 H7B 108.0 2 .
N1 C7 P1 117.3(3) . 2
N1 C7 H7A 108.0 . .
N1 C7 H7B 108.0 . .
H7A C7 H7B 107.2 . .
C11 C10 H10 118.9 . .
C9 C10 H10 118.9 . .
C9 C10 C11 122.2(4) . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
C2 N2 C6 114.0(7) . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
C16 C15 C16 117.4(5) . 2_556
O1 C15 C16 121.3(3) . 2_556
O1 C15 C16 121.3(3) . .
P1 C1 H1A 108.8 . .
P1 C1 H1B 108.8 . .
N1 C1 P1 113.9(3) . .
N1 C1 H1A 108.8 . .
N1 C1 H1B 108.8 . .
H1A C1 H1B 107.7 . .
C8 C13 H13 119.6 . .
C12 C13 C8 120.8(4) . .
C12 C13 H13 119.6 . .
C10 C11 C14 121.2(4) . .
C12 C11 C10 116.5(4) . .
C12 C11 C14 122.3(4) . .
C8 C9 H9 119.8 . .
C10 C9 C8 120.4(4) . .
C10 C9 H9 119.8 . .
C13 C12 C11 122.6(4) . .
C13 C12 H12 118.7 . .
C11 C12 H12 118.7 . .
C3 C4 H4 119.6 . .
C3 C4 C5 120.9(7) . .
C5 C4 H4 119.6 . .
N2 C2 H2 118.0 . .
C3 C2 N2 123.9(7) . .
C3 C2 H2 118.0 . .
C4 C3 C2 118.6(7) . .
C4 C3 H3 120.7 . .
C2 C3 H3 120.7 . .
C4 C5 H5 121.1 . .
C6 C5 C4 117.9(7) . .
C6 C5 H5 121.1 . .
C2A N2A C6 120.0 . .
N2A C2A H2A 120.0 . .
N2A C2A C3A 120.0 . .
C3A C2A H2A 120.0 . .
C2A C3A H3A 120.0 . .
C4A C3A C2A 120.0 . .
C4A C3A H3A 120.0 . .
C3A C4A H4A 120.0 . .
C3A C4A C5A 120.0 . .
C5A C4A H4A 120.0 . .
C4A C5A H5A 120.0 . .
C4A C5A C6 120.0 . .
C6 C5A H5A 120.0 . .
N2 C6 P1 110.0(4) . .
C5 C6 P1 125.1(5) . .
C5 C6 N2 124.6(6) . .
N2A C6 P1 125.3(3) . .
C5A C6 P1 114.5(3) . .
C5A C6 N2A 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.2254(10) .
Au1 Cl1 2.2893(11) .
P1 C7 1.862(4) 2
P1 C1 1.849(4) .
P1 C6 1.816(4) .
N1 C8 1.410(5) .
N1 C7 1.446(5) .
N1 C1 1.456(5) .
C8 C13 1.400(5) .
C8 C9 1.404(5) .
C7 P1 1.862(4) 2
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C10 H10 0.9300 .
C10 C11 1.395(5) .
C10 C9 1.391(5) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C16 C15 1.494(5) .
N2 C2 1.386(9) .
N2 C6 1.397(9) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C14 C11 1.510(5) .
C15 C16 1.494(5) 2_556
C15 O1 1.195(7) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C13 H13 0.9300 .
C13 C12 1.383(5) .
C11 C12 1.385(5) .
C9 H9 0.9300 .
C12 H12 0.9300 .
C4 H4 0.9300 .
C4 C3 1.353(10) .
C4 C5 1.401(10) .
C2 H2 0.9300 .
C2 C3 1.380(10) .
C3 H3 0.9300 .
C5 H5 0.9300 .
C5 C6 1.353(9) .
N2A C2A 1.3900 .
N2A C6 1.3900 .
C2A H2A 0.9300 .
C2A C3A 1.3900 .
C3A H3A 0.9300 .
C3A C4A 1.3900 .
C4A H4A 0.9300 .
C4A C5A 1.3900 .
C5A H5A 0.9300 .
C5A C6 1.3900 .
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
Au1 P1 C1 N1 56.0(3) . .
Au1 P1 C6 N2 -29.0(5) . .
Au1 P1 C6 C5 157.5(5) . .
Au1 P1 C6 N2A -33.2(4) . .
Au1 P1 C6 C5A 151.5(3) . .
N1 C8 C13 C12 -179.2(3) . .
N1 C8 C9 C10 -180.0(3) . .
C8 N1 C7 P1 86.2(4) . 2
C8 N1 C1 P1 -89.2(4) . .
C8 C13 C12 C11 -0.8(6) . .
C7 P1 C1 N1 -73.9(3) 2 .
C7 P1 C6 N2 92.1(5) 2 .
C7 P1 C6 C5 -81.4(6) 2 .
C7 P1 C6 N2A 88.0(4) 2 .
C7 P1 C6 C5A -87.4(4) 2 .
C7 N1 C8 C13 173.7(3) . .
C7 N1 C8 C9 -5.8(5) . .
C7 N1 C1 P1 104.8(3) . .
C10 C11 C12 C13 0.4(6) . .
N2 C2 C3 C4 2.2(11) . .
C14 C11 C12 C13 179.5(4) . .
C1 P1 C6 N2 -159.3(4) . .
C1 P1 C6 C5 27.3(6) . .
C1 P1 C6 N2A -163.4(4) . .
C1 P1 C6 C5A 21.2(4) . .
C1 N1 C8 C13 8.1(5) . .
C1 N1 C8 C9 -171.4(3) . .
C1 N1 C7 P1 -107.8(3) . 2
C13 C8 C9 C10 0.5(5) . .
C11 C10 C9 C8 -0.9(6) . .
C9 C8 C13 C12 0.3(6) . .
C9 C10 C11 C14 -178.7(4) . .
C9 C10 C11 C12 0.4(6) . .
C4 C5 C6 P1 173.6(4) . .
C4 C5 C6 N2 1.0(10) . .
C4 C5 C6 N2A 2.8(9) . .
C4 C5 C6 C5A -158(3) . .
C2 N2 C6 P1 -171.9(5) . .
C2 N2 C6 C5 1.6(10) . .
C2 N2 C6 N2A -4.5(17) . .
C2 N2 C6 C5A 7.4(12) . .
C3 C4 C5 C6 -2.2(10) . .
C5 C4 C3 C2 0.7(10) . .
N2A C2A C3A C4A 0.0 . .
C2A N2A C6 P1 -175.1(3) . .
C2A N2A C6 N2 170(2) . .
C2A N2A C6 C5 -4.3(6) . .
C2A N2A C6 C5A 0.0 . .
C2A C3A C4A C5A 0.0 . .
C3A C4A C5A C6 0.0 . .
C4A C5A C6 P1 175.6(3) . .
C4A C5A C6 N2 -3.7(9) . .
C4A C5A C6 C5 21(3) . .
C4A C5A C6 N2A 0.0 . .
C6 P1 C1 N1 -176.9(3) . .
C6 N2 C2 C3 -3.2(10) . .
C6 N2A C2A C3A 0.0 . .
