#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/48/4504824.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_4504824
loop_
_publ_author_name
'Matsumoto, Kouzou'
'Harada, Yukako'
'Yamada, Nao'
'Kurata, Hiroyuki'
'Kawase, Takeshi'
'Oda, Masaji'
_publ_section_title
;
 Three-Dimensional Coordination Polymer of Silver(I) with Bridging Ligand
 Hexakis(4-pyridyl)[3]radialene
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1083
_journal_paper_doi               10.1021/cg060073f
_journal_volume                  6
_journal_year                    2006
_chemical_formula_moiety         'C48 H36 N6 O4 '
_chemical_formula_sum            'C48 H36 N6 O4'
_chemical_formula_weight         760.85
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Wed May 11 12:15:01 2005'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 110.83(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.001(7)
_cell_length_b                   13.615(6)
_cell_length_c                   16.927(6)
_cell_measurement_reflns_used    12803
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     3877(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS86
_diffrn_detector_area_resol_mean 10.00
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       w
_diffrn_radiation_type           'Mo Ka'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18858
_diffrn_reflns_theta_max         27.43
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1592.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.24
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²l³/sin(2q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     263
_refine_ls_number_reflns         4397
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          -0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[s²(Fo²) + (0.0652P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1245
_reflns_number_gt                3220
_reflns_number_total             4397
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            cg060073fsi20060403_113639.cif
_cod_data_source_block           matsumoto913
_cod_original_cell_volume        3877(9)
_cod_original_sg_symbol_H-M      'C 2/c        '
_cod_original_formula_sum        'C48 H36 N6 O4 '
_cod_database_code               4504824
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+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
O(1) O 0.46569(6) 0.37779(8) 0.04227(7) 0.0479(3) Uani 1.00 1 d .
O(2) O 0.34383(6) 0.09941(8) -0.13147(7) 0.0501(3) Uani 1.00 1 d .
N(1) N 0.21534(7) 0.22591(9) -0.18857(9) 0.0432(3) Uani 1.00 1 d .
N(2) N 0.31460(7) 0.45836(9) -0.04038(8) 0.0413(3) Uani 1.00 1 d .
N(3) N 0.13764(9) 0.9421(1) -0.2080(1) 0.0630(4) Uani 1.00 1 d .
C(1) C 0.0000 0.4924(1) -0.2500 0.0277(4) Uani 1.00 2 d S
C(2) C 0.04220(7) 0.58366(9) -0.22773(8) 0.0283(3) Uani 1.00 1 d .
C(3) C 0.0000 0.3925(1) -0.2500 0.0267(4) Uani 1.00 2 d S
C(4) C 0.11257(7) 0.62987(9) -0.18805(8) 0.0289(3) Uani 1.00 1 d .
C(5) C 0.07518(7) 0.33663(9) -0.22736(8) 0.0279(3) Uani 1.00 1 d .
C(6) C 0.08401(8) 0.2463(1) -0.18597(9) 0.0337(3) Uani 1.00 1 d .
C(7) C 0.15363(9) 0.1939(1) -0.1688(1) 0.0410(3) Uani 1.00 1 d .
C(8) C 0.20711(8) 0.3135(1) -0.2275(1) 0.0398(3) Uani 1.00 1 d .
C(9) C 0.13903(8) 0.3700(1) -0.24894(9) 0.0317(3) Uani 1.00 1 d .
C(10) C 0.18242(7) 0.5714(1) -0.13728(8) 0.0304(3) Uani 1.00 1 d .
C(11) C 0.17523(8) 0.4950(1) -0.08554(9) 0.0330(3) Uani 1.00 1 d .
C(12) C 0.24201(8) 0.4412(1) -0.03905(9) 0.0374(3) Uani 1.00 1 d .
C(13) C 0.32147(8) 0.5314(1) -0.0908(1) 0.0434(4) Uani 1.00 1 d .
C(14) C 0.25854(8) 0.5890(1) -0.1389(1) 0.0384(3) Uani 1.00 1 d .
C(15) C 0.12070(8) 0.7373(1) -0.19468(9) 0.0316(3) Uani 1.00 1 d .
C(16) C 0.1737(1) 0.7920(1) -0.1286(1) 0.0490(4) Uani 1.00 1 d .
C(17) C 0.1797(1) 0.8919(1) -0.1383(1) 0.0645(5) Uani 1.00 1 d .
C(18) C 0.08708(9) 0.8898(1) -0.2711(1) 0.0486(4) Uani 1.00 1 d .
C(19) C 0.07682(8) 0.7889(1) -0.26749(9) 0.0346(3) Uani 1.00 1 d .
C(20) C 0.46922(9) 0.2865(1) 0.0099(1) 0.0393(3) Uani 1.00 1 d .
C(21) C 0.40190(8) 0.2394(1) -0.04350(9) 0.0386(3) Uani 1.00 1 d .
C(22) C 0.40827(9) 0.1473(1) -0.07669(9) 0.0382(3) Uani 1.00 1 d .
C(23) C 0.48194(9) 0.1020(1) -0.0545(1) 0.0441(4) Uani 1.00 1 d .
C(24) C 0.5480(1) 0.1487(1) 0.0012(1) 0.0534(4) Uani 1.00 1 d .
C(25) C 0.54319(9) 0.2406(1) 0.0340(1) 0.0516(4) Uani 1.00 1 d .
H(1) H 0.0407 0.2192 -0.1704 0.0660 Uiso 1.00 1 calc .
H(2) H 0.1560 0.1262 -0.1442 0.0660 Uiso 1.00 1 calc .
H(3) H 0.2572 0.3293 -0.2370 0.0660 Uiso 1.00 1 calc .
H(4) H 0.1333 0.4303 -0.2822 0.0660 Uiso 1.00 1 calc .
H(5) H 0.1233 0.4744 -0.0845 0.0660 Uiso 1.00 1 calc .
H(6) H 0.2387 0.3840 -0.0026 0.0660 Uiso 1.00 1 calc .
H(7) H 0.3734 0.5397 -0.0953 0.0660 Uiso 1.00 1 calc .
H(8) H 0.2645 0.6379 -0.1794 0.0660 Uiso 1.00 1 calc .
H(9) H 0.2066 0.7559 -0.0752 0.0660 Uiso 1.00 1 calc .
H(10) H 0.2226 0.9259 -0.0891 0.0660 Uiso 1.00 1 calc .
H(11) H 0.0511 0.9255 -0.3261 0.0660 Uiso 1.00 1 calc .
H(12) H 0.0393 0.7532 -0.3191 0.0660 Uiso 1.00 1 calc .
H(13) H 0.3520 0.2712 -0.0607 0.0660 Uiso 1.00 1 calc .
H(14) H 0.4859 0.0370 -0.0781 0.0660 Uiso 1.00 1 calc .
H(15) H 0.5992 0.1176 0.0140 0.0660 Uiso 1.00 1 calc .
H(16) H 0.5938 0.2753 0.0703 0.0660 Uiso 1.00 1 calc .
H(17) H 0.4117 0.4030 0.0166 0.0660 Uiso 1.00 1 calc .
H(18) H 0.3002 0.1399 -0.1508 0.0660 Uiso 1.00 1 calc .
C(2*) C -0.04220(7) 0.58366(9) -0.27227(8) 0.0283(3) Uani 1.00 1 d .
C(5*) C -0.07518(7) 0.33663(9) -0.27264(8) 0.0279(3) Uani 1.00 1 d .
C(4*) C -0.11257(7) 0.62987(9) -0.31195(8) 0.0289(3) Uani 1.00 1 d .
C(6*) C -0.08401(8) 0.2463(1) -0.31403(9) 0.0337(3) Uani 1.00 1 d .
C(9*) C -0.13903(8) 0.3700(1) -0.25106(9) 0.0317(3) Uani 1.00 1 d .
C(10*) C -0.18242(7) 0.5714(1) -0.36272(8) 0.0304(3) Uani 1.00 1 d .
C(15*) C -0.12070(8) 0.7373(1) -0.30532(9) 0.0316(3) Uani 1.00 1 d .
C(7*) C -0.15363(9) 0.1939(1) -0.3312(1) 0.0410(3) Uani 1.00 1 d .
H(1*) H -0.0407 0.2192 -0.3296 0.0660 Uiso 1.00 1 calc .
C(8*) C -0.20711(8) 0.3135(1) -0.2725(1) 0.0398(3) Uani 1.00 1 d .
H(4*) H -0.1333 0.4303 -0.2178 0.0660 Uiso 1.00 1 calc .
C(11*) C -0.17523(8) 0.4950(1) -0.41446(9) 0.0330(3) Uani 1.00 1 d .
C(14*) C -0.25854(8) 0.5890(1) -0.3612(1) 0.0384(3) Uani 1.00 1 d .
C(16*) C -0.1737(1) 0.7920(1) -0.3714(1) 0.0490(4) Uani 1.00 1 d .
C(19*) C -0.07682(8) 0.7889(1) -0.23251(9) 0.0346(3) Uani 1.00 1 d .
N(1*) N -0.21534(7) 0.22591(9) -0.31143(9) 0.0432(3) Uani 1.00 1 d .
H(2*) H -0.1560 0.1262 -0.3558 0.0660 Uiso 1.00 1 calc .
H(3*) H -0.2572 0.3293 -0.2630 0.0660 Uiso 1.00 1 calc .
C(12*) C -0.24201(8) 0.4412(1) -0.46095(9) 0.0374(3) Uani 1.00 1 d .
H(5*) H -0.1233 0.4744 -0.4155 0.0660 Uiso 1.00 1 calc .
C(13*) C -0.32147(8) 0.5314(1) -0.4093(1) 0.0434(4) Uani 1.00 1 d .
H(8*) H -0.2645 0.6379 -0.3206 0.0660 Uiso 1.00 1 calc .
C(17*) C -0.1797(1) 0.8919(1) -0.3617(1) 0.0645(5) Uani 1.00 1 d .
H(9*) H -0.2066 0.7559 -0.4248 0.0660 Uiso 1.00 1 calc .
C(18*) C -0.08708(9) 0.8898(1) -0.2290(1) 0.0486(4) Uani 1.00 1 d .
H(12*) H -0.0393 0.7532 -0.1809 0.0660 Uiso 1.00 1 calc .
N(2*) N -0.31460(7) 0.45836(9) -0.45962(8) 0.0413(3) Uani 1.00 1 d .
H(6*) H -0.2387 0.3840 -0.4974 0.0660 Uiso 1.00 1 calc .
H(7*) H -0.3734 0.5397 -0.4047 0.0660 Uiso 1.00 1 calc .
N(3*) N -0.13764(9) 0.9421(1) -0.2920(1) 0.0630(4) Uani 1.00 1 d .
H(10*) H -0.2226 0.9259 -0.4109 0.0660 Uiso 1.00 1 calc .
H(11*) H -0.0511 0.9255 -0.1739 0.0660 Uiso 1.00 1 calc .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, 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
C(7) N(1) C(8) 117.0(1) . . yes
C(12) N(2) C(13) 116.8(1) . . yes
C(17) N(3) C(18) 116.3(1) . . yes
C(2) C(1) C(2) 60.0(1) . 2_554 yes
C(2) C(1) C(3) 149.98(6) . . yes
C(2) C(1) C(3) 149.98(6) 2_554 . yes
C(1) C(2) C(2) 59.98(6) . 2_554 yes
C(1) C(2) C(4) 147.6(1) . . yes
C(2) C(2) C(4) 152.35(7) 2_554 . yes
C(1) C(3) C(5) 120.94(8) . . yes
C(1) C(3) C(5) 120.94(8) . 2_554 yes
C(5) C(3) C(5) 118.1(2) . 2_554 yes
C(2) C(4) C(10) 119.3(1) . . yes
C(2) C(4) C(15) 121.4(1) . . yes
C(10) C(4) C(15) 119.3(1) . . yes
C(3) C(5) C(6) 120.9(1) . . yes
C(3) C(5) C(9) 121.7(1) . . yes
C(6) C(5) C(9) 117.3(1) . . yes
C(5) C(6) C(7) 119.6(1) . . yes
N(1) C(7) C(6) 123.4(1) . . yes
N(1) C(8) C(9) 123.7(2) . . yes
C(5) C(9) C(8) 119.0(1) . . yes
C(4) C(10) C(11) 121.1(1) . . yes
C(4) C(10) C(14) 122.2(1) . . yes
C(11) C(10) C(14) 116.7(1) . . yes
C(10) C(11) C(12) 119.6(1) . . yes
N(2) C(12) C(11) 123.6(1) . . yes
N(2) C(13) C(14) 123.6(1) . . yes
C(10) C(14) C(13) 119.7(1) . . yes
C(4) C(15) C(16) 121.6(1) . . yes
C(4) C(15) C(19) 121.7(1) . . yes
C(16) C(15) C(19) 116.7(1) . . yes
C(15) C(16) C(17) 119.3(1) . . yes
N(3) C(17) C(16) 124.3(2) . . yes
N(3) C(18) C(19) 123.7(1) . . yes
C(15) C(19) C(18) 119.6(1) . . yes
O(1) C(20) C(21) 121.9(1) . . yes
O(1) C(20) C(25) 117.7(1) . . yes
C(21) C(20) C(25) 120.4(1) . . yes
C(20) C(21) C(22) 120.1(1) . . yes
O(2) C(22) C(21) 122.0(1) . . yes
O(2) C(22) C(23) 118.1(1) . . yes
C(21) C(22) C(23) 119.9(1) . . yes
C(22) C(23) C(24) 119.2(2) . . yes
C(23) C(24) C(25) 121.9(2) . . yes
C(20) C(25) C(24) 118.5(1) . . yes
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
O(1) C(20) 1.368(2) . yes
O(2) C(22) 1.366(2) . yes
N(1) C(7) 1.342(2) . yes
N(1) C(8) 1.344(2) . yes
N(2) C(12) 1.336(2) . yes
N(2) C(13) 1.344(2) . yes
N(3) C(17) 1.341(3) . yes
N(3) C(18) 1.335(2) . yes
C(1) C(2) 1.435(2) . yes
C(1) C(2) 1.435(2) 2_554 yes
C(1) C(3) 1.360(3) . yes
C(2) C(2) 1.436(2) 2_554 yes
C(2) C(4) 1.359(2) . yes
C(3) C(5) 1.479(2) . yes
C(3) C(5) 1.479(2) 2_554 yes
C(4) C(10) 1.478(2) . yes
C(4) C(15) 1.478(2) . yes
C(5) C(6) 1.397(2) . yes
C(5) C(9) 1.400(2) . yes
C(6) C(7) 1.380(2) . yes
C(8) C(9) 1.382(2) . yes
C(10) C(11) 1.396(2) . yes
C(10) C(14) 1.400(2) . yes
C(11) C(12) 1.389(2) . yes
C(13) C(14) 1.380(2) . yes
C(15) C(16) 1.400(2) . yes
C(15) C(19) 1.394(2) . yes
C(16) C(17) 1.379(3) . yes
C(18) C(19) 1.391(2) . yes
C(20) C(21) 1.385(2) . yes
C(20) C(25) 1.394(2) . yes
C(21) C(22) 1.395(2) . yes
C(22) C(23) 1.388(2) . yes
C(23) C(24) 1.382(2) . yes
C(24) C(25) 1.384(3) . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
O(1) C(6) 3.334(2) 7_555
O(2) C(4) 3.439(2) 6_544
N(3) C(7) 3.485(2) 1_565
C(2) C(23) 3.478(2) 5_455
C(2) C(23) 3.563(2) 6_554
C(6) C(20) 3.468(3) 7_555
C(19) C(22) 3.354(2) 6_554
C(19) C(21) 3.422(2) 6_554
C(23) C(23) 3.269(3) 3_655
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O(1) H(17) N(2) . 0.975 1.832 2.802(1) 173.135 no
O(2) H(18) N(1) . 0.919 1.849 2.768(1) 177.551 no
O(1) H(17) N(2*) 2_556 0.975 1.832 2.802(1) 173.135 no
O(2) H(18) N(1*) 2_556 0.919 1.849 2.768(1) 177.551 no
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O(1) C(20) C(21) C(22) 178.5(2) . . . yes
O(1) C(20) C(25) C(24) -179.3(2) . . . yes
O(2) C(22) C(21) C(20) -178.1(2) . . . yes
O(2) C(22) C(23) C(24) -179.7(2) . . . yes
N(1) C(7) C(6) C(5) 1.2(2) . . . yes
N(1) C(8) C(9) C(5) 1.8(2) . . . yes
N(2) C(12) C(11) C(10) 0.2(2) . . . yes
N(2) C(13) C(14) C(10) -0.8(3) . . . yes
N(3) C(17) C(16) C(15) 0.0(4) . . . yes
N(3) C(18) C(19) C(15) 0.3(3) . . . yes
C(1) C(2) C(2) C(4) -176.1(4) . 2_554 2_554 yes
C(1) C(2) C(4) C(10) -6.6(3) . . . yes
C(1) C(2) C(4) C(15) 173.4(2) . . . yes
C(1) C(2) C(2) C(4) -176.1(4) 2_554 . . yes
C(1) C(3) C(5) C(6) 146.95(9) . . . yes
C(1) C(3) C(5) C(9) -35.3(1) . . . yes
C(1) C(3) C(5) C(6) 146.95(9) . 2_554 2_554 yes
C(1) C(3) C(5) C(9) -35.3(1) . 2_554 2_554 yes
C(2) C(1) C(2) C(4) 176.7(3) . 2_554 2_554 yes
C(2) C(1) C(3) C(5) -13.0(1) . . . yes
C(2) C(1) C(3) C(5) 167.0(1) . . 2_554 yes
C(2) C(2) C(1) C(3) 180.0 2_554 . . yes
C(2) C(4) C(10) C(11) -40.7(2) . . . yes
C(2) C(4) C(10) C(14) 138.8(2) . . . yes
C(2) C(4) C(15) C(16) 148.5(2) . . . yes
C(2) C(4) C(15) C(19) -32.5(2) . . . yes
C(3) C(1) C(2) C(4) -3.3(3) . . . yes
C(3) C(1) C(2) C(4) -3.3(3) . 2_554 2_554 yes
C(3) C(5) C(6) C(7) 177.3(1) . . . yes
C(3) C(5) C(9) C(8) -178.7(1) . . . yes
C(3) C(5) C(6) C(7) 177.3(1) 2_554 2_554 2_554 yes
C(4) C(2) C(2) C(4) 7.7(8) . 2_554 2_554 yes
C(4) C(10) C(11) C(12) 179.6(1) . . . yes
C(4) C(10) C(14) C(13) -179.4(1) . . . yes
C(4) C(15) C(16) C(17) 179.3(2) . . . yes
C(4) C(15) C(19) C(18) -179.4(2) . . . yes
C(5) C(3) C(5) C(6) -33.05(9) . 2_554 2_554 yes
C(5) C(3) C(5) C(9) 144.7(1) . 2_554 2_554 yes
C(6) C(5) C(9) C(8) -0.9(2) . . . yes
C(6) C(7) N(1) C(8) -0.4(2) . . . yes
C(7) N(1) C(8) C(9) -1.1(2) . . . yes
C(7) C(6) C(5) C(9) -0.5(2) . . . yes
C(10) C(4) C(15) C(16) -31.6(2) . . . yes
C(10) C(4) C(15) C(19) 147.5(2) . . . yes
C(11) C(10) C(4) C(15) 139.3(1) . . . yes
C(11) C(10) C(14) C(13) 0.2(2) . . . yes
C(11) C(12) N(2) C(13) -0.8(2) . . . yes
C(12) N(2) C(13) C(14) 1.1(2) . . . yes
C(12) C(11) C(10) C(14) 0.1(2) . . . yes
C(14) C(10) C(4) C(15) -41.1(2) . . . yes
C(16) C(15) C(19) C(18) -0.3(3) . . . yes
C(16) C(17) N(3) C(18) 0.0(4) . . . yes
C(17) N(3) C(18) C(19) -0.1(3) . . . yes
C(17) C(16) C(15) C(19) 0.2(3) . . . yes
C(20) C(21) C(22) C(23) 1.5(3) . . . yes
C(20) C(25) C(24) C(23) 0.2(3) . . . yes
C(21) C(20) C(25) C(24) 2.0(3) . . . yes
C(21) C(22) C(23) C(24) 0.7(3) . . . yes
C(22) C(21) C(20) C(25) -2.9(3) . . . yes
C(22) C(23) C(24) C(25) -1.6(3) . . . yes
C(22) C(23) C(24) C(25) -1.6(3) . . . yes
