#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:33:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179506 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/03/4340374.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_4340374
loop_
_publ_author_name
'Rancan, Marzio'
'Tessarolo, Jacopo'
'Casarin, Maurizio'
'Zanonato, Pier Luigi'
'Quici, Silvio'
'Armelao, Lidia'
_publ_section_title
;
 Double level selection in a constitutional dynamic library of
 coordination driven supramolecular polygons.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7276
_journal_page_last               7287
_journal_paper_doi               10.1021/ic500573e
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C18 H20 Cu N O4.33 P0.33, 2(C H Cl3)'
_chemical_formula_sum            'C20 H22 Cl6 Cu N O4.33 P0.33'
_chemical_formula_weight         632.28
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-11-11
_audit_creation_method
;
Olex2 1.2
(compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   22.1525(3)
_cell_length_b                   22.1525(3)
_cell_length_c                   31.1429(6)
_cell_measurement_reflns_used    18741
_cell_measurement_temperature    298.00(14)
_cell_measurement_theta_max      26.7524
_cell_measurement_theta_min      2.2171
_cell_volume                     13235.3(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      298.00(14)
_diffrn_detector_area_resol_mean 16.1274
_diffrn_measured_fraction_theta_full 0.9991
_diffrn_measured_fraction_theta_max 0.9905
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0084280000
_diffrn_orient_matrix_UB_12      0.0085330000
_diffrn_orient_matrix_UB_13      -0.0202354000
_diffrn_orient_matrix_UB_21      0.0009051000
_diffrn_orient_matrix_UB_22      -0.0286799000
_diffrn_orient_matrix_UB_23      -0.0094356000
_diffrn_orient_matrix_UB_31      -0.0359884000
_diffrn_orient_matrix_UB_32      -0.0217157000
_diffrn_orient_matrix_UB_33      0.0045050000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0601
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            51176
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.81
_diffrn_reflns_theta_min         2.22
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.331
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73969
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour
;
;
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5754
_exptl_crystal_recrystallization_method CHCl3/Tol
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.997
_refine_diff_density_min         -0.844
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5794
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0956
_refine_ls_R_factor_gt           0.0774
_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)+(0.1900P)²+15.7783P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2419
_refine_ls_wR_factor_ref         0.2668
_reflns_number_gt                4370
_reflns_number_total             5794
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500573e_si_002.cif
_cod_data_source_block           Cu3PTAO
_cod_depositor_comments
'Adding full bibliography for 4340369--4340375.cif.'
_cod_original_cell_volume        13235.3(3)
_cod_database_code               4340374
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-y, x-y, z'
3 '-x+y, -x, z'
4 'x+2/3, y+1/3, z+1/3'
5 '-y+2/3, x-y+1/3, z+1/3'
6 '-x+y+2/3, -x+1/3, z+1/3'
7 'x+1/3, y+2/3, z+2/3'
8 '-y+1/3, x-y+2/3, z+2/3'
9 '-x+y+1/3, -x+2/3, z+2/3'
10 '-x, -y, -z'
11 'y, -x+y, -z'
12 'x-y, x, -z'
13 '-x+2/3, -y+1/3, -z+1/3'
14 'y+2/3, -x+y+1/3, -z+1/3'
15 'x-y+2/3, x+1/3, -z+1/3'
16 '-x+1/3, -y+2/3, -z+2/3'
17 'y+1/3, -x+y+2/3, -z+2/3'
18 'x-y+1/3, x+2/3, -z+2/3'
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
Cu1 Cu 0.64245(2) 0.48791(2) 0.535100(17) 0.0437(3) Uani 1 1 d .
P1 P 0.6667 0.3333 0.63803(6) 0.0372(4) Uani 1 3 d S
O1 O 0.56870(14) 0.46014(15) 0.57692(10) 0.0471(7) Uani 1 1 d .
O2 O 0.57401(16) 0.45313(17) 0.49065(11) 0.0568(8) Uani 1 1 d .
O3 O 0.45119(15) 0.16459(16) 0.57519(10) 0.0484(7) Uani 1 1 d .
O5 O 0.6667 0.3333 0.68573(16) 0.0511(12) Uani 1 3 d S
O4 O 0.48251(18) 0.19298(17) 0.49039(11) 0.0557(8) Uani 1 1 d .
N1 N 0.65683(17) 0.39202(16) 0.56436(11) 0.0382(7) Uani 1 1 d .
C15 C 0.4421(2) 0.2183(2) 0.49258(16) 0.0501(10) Uani 1 1 d .
C12 C 0.4142(2) 0.2275(2) 0.53080(16) 0.0455(10) Uani 1 1 d .
C2 C 0.5043(2) 0.4140(2) 0.57167(15) 0.0470(10) Uani 1 1 d .
C3 C 0.4723(2) 0.3852(2) 0.53220(16) 0.0467(10) Uani 1 1 d .
C4 C 0.5082(2) 0.4147(2) 0.49413(16) 0.0499(10) Uani 1 1 d .
C13 C 0.4175(2) 0.1964(2) 0.56960(15) 0.0471(10) Uani 1 1 d .
C11 C 0.3689(2) 0.2614(2) 0.52853(16) 0.0499(10) Uani 1 1 d .
C6 C 0.3952(2) 0.3328(2) 0.53023(16) 0.0484(10) Uani 1 1 d .
C9 C 0.2518(3) 0.2430(3) 0.5222(2) 0.0779(18) Uani 1 1 d .
H9 H 0.2042 0.2130 0.5187 0.094 Uiso 1 1 calc R
C10 C 0.2969(2) 0.2167(3) 0.5253(2) 0.0658(14) Uani 1 1 d .
H10 H 0.2789 0.1688 0.5252 0.079 Uiso 1 1 calc R
C8 C 0.2774(3) 0.3122(3) 0.5243(2) 0.0791(18) Uani 1 1 d .
H8 H 0.2470 0.3297 0.5227 0.095 Uiso 1 1 calc R
C1 C 0.4618(3) 0.3950(4) 0.6126(2) 0.0787(17) Uani 1 1 d .
H1A H 0.4578 0.3531 0.6243 0.118 Uiso 1 1 calc R
H1B H 0.4162 0.3877 0.6063 0.118 Uiso 1 1 calc R
H1C H 0.4845 0.4322 0.6330 0.118 Uiso 1 1 calc R
C5 C 0.4701(3) 0.4075(3) 0.45177(17) 0.0662(14) Uani 1 1 d .
H5A H 0.4737 0.4514 0.4446 0.099 Uiso 1 1 calc R
H5B H 0.4219 0.3727 0.4548 0.099 Uiso 1 1 calc R
H5C H 0.4908 0.3941 0.4294 0.099 Uiso 1 1 calc R
C7 C 0.3481(3) 0.3579(3) 0.5289(2) 0.0673(15) Uani 1 1 d .
H7 H 0.3647 0.4055 0.5311 0.081 Uiso 1 1 calc R
Cl3S Cl 0.67691(16) 0.67336(13) 0.62778(10) 0.1340(9) Uani 1 1 d .
Cl1S Cl 0.66562(16) 0.5720(2) 0.68839(10) 0.1630(13) Uani 1 1 d .
Cl6S Cl 0.92048(18) 0.88295(19) 0.54497(10) 0.1518(11) Uani 1 1 d .
Cl4S Cl 0.8730(2) 0.82066(16) 0.62725(13) 0.1784(15) Uani 1 1 d .
Cl2S Cl 0.54512(18) 0.5808(3) 0.66717(11) 0.1889(18) Uani 1 1 d .
C17 C 0.7232(2) 0.3995(2) 0.54965(14) 0.0408(9) Uani 1 1 d .
H17A H 0.7610 0.4437 0.5598 0.049 Uiso 1 1 calc R
H17B H 0.7242 0.4006 0.5185 0.049 Uiso 1 1 calc R
Cl5S Cl 0.8004(2) 0.8756(3) 0.58185(19) 0.215(2) Uani 1 1 d .
C18 C 0.6558(2) 0.3998(2) 0.61172(13) 0.0411(9) Uani 1 1 d .
H18A H 0.6118 0.3958 0.6203 0.049 Uiso 1 1 calc R
H18B H 0.6930 0.4455 0.6202 0.049 Uiso 1 1 calc R
C16 C 0.4236(4) 0.2344(4) 0.44980(19) 0.0781(17) Uani 1 1 d .
H16A H 0.4652 0.2606 0.4331 0.117 Uiso 1 1 calc R
H16B H 0.4008 0.2613 0.4535 0.117 Uiso 1 1 calc R
H16C H 0.3928 0.1917 0.4352 0.117 Uiso 1 1 calc R
C2S C 0.8808(4) 0.8854(4) 0.5926(2) 0.0870(19) Uani 1 1 d .
H2S H 0.9098 0.9308 0.6063 0.104 Uiso 1 1 calc R
C14 C 0.3772(3) 0.1962(4) 0.6085(2) 0.0726(15) Uani 1 1 d .
H14A H 0.3299 0.1588 0.6062 0.109 Uiso 1 1 calc R
H14B H 0.3780 0.2398 0.6103 0.109 Uiso 1 1 calc R
H14C H 0.3981 0.1897 0.6338 0.109 Uiso 1 1 calc R
C1S C 0.6228(4) 0.5916(5) 0.6476(2) 0.105(3) Uani 1 1 d .
H1S H 0.6121 0.5582 0.6242 0.126 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
P P 0.1023 0.0942 '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
O1 Cu1 N1 85.97(12) . .
O2 Cu1 O1 89.19(14) . .
O2 Cu1 O3 162.95(14) . 3_665
O2 Cu1 O4 86.61(14) . 3_665
O2 Cu1 N1 109.76(13) . .
O3 Cu1 O1 92.86(13) 3_665 .
O3 Cu1 N1 87.27(12) 3_665 .
O4 Cu1 O1 174.79(13) 3_665 .
O4 Cu1 O3 90.28(14) 3_665 3_665
O4 Cu1 N1 98.33(13) 3_665 .
O5 P1 C18 117.02(14) . 2_655
O5 P1 C18 117.02(14) . 3_665
O5 P1 C18 117.02(13) . .
C18 P1 C18 100.98(17) 2_655 3_665
C18 P1 C18 100.98(17) 2_655 .
C18 P1 C18 100.98(17) 3_665 .
C2 O1 Cu1 126.4(3) . .
C4 O2 Cu1 128.4(3) . .
C13 O3 Cu1 127.9(3) . 2_655
C15 O4 Cu1 129.1(3) . 2_655
C17 N1 Cu1 109.9(2) . .
C17 N1 Cu1 111.2(2) 2_655 .
C17 N1 C17 107.7(4) . 2_655
C17 N1 C18 111.9(3) 2_655 .
C17 N1 C18 111.7(3) . .
C18 N1 Cu1 104.5(2) . .
O4 C15 C12 124.5(4) . .
O4 C15 C16 113.3(5) . .
C12 C15 C16 122.1(4) . .
C15 C12 C13 121.5(4) . .
C15 C12 C11 118.5(4) . .
C13 C12 C11 119.1(4) . .
O1 C2 C3 125.6(4) . .
O1 C2 C1 113.8(4) . .
C3 C2 C1 120.5(4) . .
C2 C3 C6 120.4(4) . .
C4 C3 C2 119.4(4) . .
C4 C3 C6 119.1(4) . .
O2 C4 C3 125.4(4) . .
O2 C4 C5 112.6(4) . .
C3 C4 C5 121.9(4) . .
O3 C13 C12 125.2(4) . .
O3 C13 C14 113.6(4) . .
C12 C13 C14 121.1(4) . .
C6 C11 C12 123.6(4) . .
C6 C11 C10 119.4(4) . .
C10 C11 C12 116.9(4) . .
C11 C6 C3 123.3(4) . .
C11 C6 C7 118.5(4) . .
C7 C6 C3 118.2(4) . .
C8 C9 C10 119.5(5) . .
C9 C10 C11 120.9(5) . .
C9 C8 C7 121.2(5) . .
C8 C7 C6 120.4(5) . .
N1 C17 N1 113.7(3) . 3_665
N1 C18 P1 109.9(3) . .
Cl4S C2S Cl6S 110.3(5) . .
Cl5S C2S Cl6S 109.8(4) . .
Cl5S C2S Cl4S 110.5(5) . .
Cl3S C1S Cl1S 110.0(4) . .
Cl3S C1S Cl2S 113.3(6) . .
Cl2S C1S Cl1S 109.5(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.934(3) .
Cu1 O2 1.908(3) .
Cu1 O3 1.931(3) 3_665
Cu1 O4 1.911(3) 3_665
Cu1 N1 2.474(3) .
P1 O5 1.486(5) .
P1 C18 1.803(4) 2_655
P1 C18 1.803(4) 3_665
P1 C18 1.803(4) .
O1 C2 1.283(5) .
O2 C4 1.273(6) .
O3 Cu1 1.931(3) 2_655
O3 C13 1.269(5) .
O4 Cu1 1.911(3) 2_655
O4 C15 1.275(6) .
N1 C17 1.472(5) 2_655
N1 C17 1.468(5) .
N1 C18 1.486(5) .
C15 C12 1.401(7) .
C15 C16 1.489(7) .
C12 C13 1.411(7) .
C12 C11 1.528(6) .
C2 C3 1.403(7) .
C2 C1 1.513(7) .
C3 C4 1.395(7) .
C3 C6 1.512(6) .
C4 C5 1.530(7) .
C13 C14 1.502(7) .
C11 C6 1.385(6) .
C11 C10 1.399(6) .
C6 C7 1.407(6) .
C9 C10 1.389(7) .
C9 C8 1.343(9) .
C8 C7 1.384(7) .
Cl3S C1S 1.711(10) .
Cl1S C1S 1.764(9) .
Cl6S C2S 1.739(8) .
Cl4S C2S 1.733(7) .
Cl2S C1S 1.726(9) .
C17 N1 1.472(5) 3_665
Cl5S C2S 1.716(9) .
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
Cu1 O1 C2 C3 -14.1(6) . .
Cu1 O1 C2 C1 170.0(4) . .
Cu1 O2 C4 C3 -5.2(7) . .
Cu1 O2 C4 C5 170.8(3) . .
Cu1 O3 C13 C12 4.7(6) 2_655 .
Cu1 O3 C13 C14 -177.7(4) 2_655 .
Cu1 O4 C15 C12 4.9(6) 2_655 .
Cu1 O4 C15 C16 -172.1(4) 2_655 .
Cu1 N1 C17 N1 -178.1(2) . 3_665
Cu1 N1 C18 P1 -179.45(17) . .
O1 Cu1 O2 C4 -12.7(4) . .
O1 Cu1 N1 C17 75.1(3) . 2_655
O1 Cu1 N1 C17 -165.7(3) . .
O1 Cu1 N1 C18 -45.8(2) . .
O1 C2 C3 C4 -10.3(7) . .
O1 C2 C3 C6 -178.0(4) . .
O2 Cu1 O1 C2 21.8(3) . .
O2 Cu1 N1 C17 106.6(3) . .
O2 Cu1 N1 C17 -12.6(3) . 2_655
O2 Cu1 N1 C18 -133.5(2) . .
O3 Cu1 O1 C2 -175.1(3) 3_665 .
O3 Cu1 O2 C4 -109.8(5) 3_665 .
O3 Cu1 N1 C17 168.2(3) 3_665 2_655
O3 Cu1 N1 C17 -72.7(3) 3_665 .
O3 Cu1 N1 C18 47.3(2) 3_665 .
O5 P1 C18 N1 -179.8(2) . .
O4 Cu1 O1 C2 57.9(16) 3_665 .
O4 Cu1 O2 C4 170.4(4) 3_665 .
O4 Cu1 N1 C17 -101.9(3) 3_665 2_655
O4 Cu1 N1 C17 17.2(3) 3_665 .
O4 Cu1 N1 C18 137.2(2) 3_665 .
O4 C15 C12 C13 -13.0(7) . .
O4 C15 C12 C11 177.5(4) . .
N1 Cu1 O1 C2 -88.1(3) . .
N1 Cu1 O2 C4 72.7(4) . .
C15 C12 C13 O3 8.1(7) . .
C15 C12 C13 C14 -169.4(5) . .
C15 C12 C11 C6 -87.6(6) . .
C15 C12 C11 C10 93.5(6) . .
C12 C11 C6 C3 3.3(8) . .
C12 C11 C6 C7 -178.5(5) . .
C12 C11 C10 C9 -178.7(6) . .
C2 C3 C4 O2 20.6(7) . .
C2 C3 C4 C5 -155.0(4) . .
C2 C3 C6 C11 -98.2(6) . .
C2 C3 C6 C7 83.6(6) . .
C3 C6 C7 C8 175.9(6) . .
C4 C3 C6 C11 94.1(6) . .
C4 C3 C6 C7 -84.1(6) . .
C13 C12 C11 C6 102.7(6) . .
C13 C12 C11 C10 -76.2(6) . .
C11 C12 C13 O3 177.5(4) . .
C11 C12 C13 C14 0.0(6) . .
C11 C6 C7 C8 -2.4(9) . .
C6 C3 C4 O2 -171.5(4) . .
C6 C3 C4 C5 12.8(6) . .
C6 C11 C10 C9 2.3(9) . .
C9 C8 C7 C6 1.8(11) . .
C10 C11 C6 C3 -177.8(5) . .
C10 C11 C6 C7 0.4(8) . .
C10 C9 C8 C7 1.0(12) . .
C8 C9 C10 C11 -3.0(11) . .
C1 C2 C3 C4 165.4(5) . .
C1 C2 C3 C6 -2.3(6) . .
C17 N1 C17 N1 -56.8(5) 2_655 3_665
C17 N1 C18 P1 -60.7(4) . .
C17 N1 C18 P1 60.2(3) 2_655 .
C18 P1 C18 N1 52.0(2) 3_665 .
C18 P1 C18 N1 -51.6(2) 2_655 .
C18 N1 C17 N1 66.5(4) . 3_665
C16 C15 C12 C13 163.7(5) . .
C16 C15 C12 C11 -5.8(7) . .
