#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011582.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2011582
loop_
_publ_author_name
'Horn, E.'
'Kurosawa, K.'
'Tiekink, E. R. T.'
_publ_section_title
;
 Bis[<i>N</i>-phenyl(dicyclohexylthiophosphinoyl)thiomethanamido-<i>S</i>,<i>S</i>']copper(II)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1319
_journal_page_last               1320
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Cu (C19 H27 NPS2 )2 ]'
_chemical_formula_moiety         'C38 H56 CuN2 P2 S4 '
_chemical_formula_sum            'C38 H56 Cu N2 P2 S4'
_chemical_formula_weight         792.60
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.90(2)
_cell_angle_beta                 82.310(10)
_cell_angle_gamma                68.620(10)
_cell_formula_units_Z            1
_cell_length_a                   8.4300(10)
_cell_length_b                   10.305(3)
_cell_length_c                   12.380(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      12.3
_cell_measurement_theta_min      11.1
_cell_volume                     991.2(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1996)
;
_computing_data_reduction
'TEXSAN for Windows (Molecular Structure Corporation, 1997)'
_computing_publication_material  'TEXSAN for Windows'
_computing_structure_refinement  'TEXSAN for Windows'
_computing_structure_solution
;
SIR92 (Altomare et al., 1994)
;
_diffrn_ambient_temperature      293
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .028
_diffrn_reflns_av_sigmaI/netI    .106
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6080
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.62
_diffrn_standards_decay_%        .27
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .871
_exptl_absorpt_correction_T_max  .917
_exptl_absorpt_correction_T_min  .709
_exptl_absorpt_correction_type   '\y scans'
_exptl_absorpt_process_details
;
(North et al., 1968)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             419
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .10
_refine_diff_density_max         .37
_refine_diff_density_min         -.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.750
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     214
_refine_ls_number_reflns         3059
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           .044
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .0005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.003|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         .031
_reflns_number_gt                3059
_reflns_number_total             5779
_reflns_threshold_expression     I>2.00\s(I)
_[local]_cod_data_source_file    ta1299.cif
_[local]_cod_data_source_block   I
_[local]_cod_cif_authors_sg_H-M  'P -1       '
_[local]_cod_chemical_formula_sum_orig 'C38 H56 CuN2 P2 S4 '
_cod_original_cell_volume        991.1(3)
_cod_database_code               2011582
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,   -y,   -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Cu .0000 .0000 .0000 .04170(10) Uani d S 1
S(1) .01127(9) -.06800(10) -.17644(6) .0702(3) Uani d . 1.000
S(2) .29323(8) -.09424(8) .00246(6) .0501(2) Uani d . 1.000
P(1) .38695(8) -.13057(7) -.15628(6) .0368(2) Uani d . 1.000
N(1) .2918(2) -.2211(2) -.3221(2) .0405(6) Uani d . 1.000
C(1) .2240(3) -.1472(3) -.2338(2) .0388(7) Uani d . 1.000
C(2) .4473(3) .0120(3) -.2109(2) .0420(8) Uani d . 1.000
C(3) .2950(3) .1501(3) -.2015(3) .0554(9) Uani d . 1.000
C(4) .3552(4) .2690(3) -.2368(3) .0750(10) Uani d . 1.000
C(5) .4533(4) .2396(4) -.3504(3) .0860(10) Uani d . 1.000
C(6) .6010(4) .1033(3) -.3623(3) .0730(10) Uani d . 1.000
C(7) .5438(4) -.0174(3) -.3278(2) .0570(10) Uani d . 1.000
C(8) .5741(3) -.2922(3) -.1800(2) .0388(7) Uani d . 1.000
C(9) .7247(3) -.2841(3) -.1269(3) .0590(10) Uani d . 1.000
C(10) .8809(4) -.4202(4) -.1489(3) .0770(10) Uani d . 1.000
C(11) .8358(4) -.5436(4) -.1096(3) .0790(10) Uani d . 1.000
C(12) .6868(4) -.5521(3) -.1614(3) .0650(10) Uani d . 1.000
C(13) .5305(3) -.4183(3) -.1406(2) .0517(9) Uani d . 1.000
C(14) .1968(3) -.2554(3) -.3954(2) .0406(8) Uani d . 1.000
C(15) .0507(4) -.1623(3) -.4305(2) .0600(10) Uani d . 1.000
C(16) -.0242(4) -.2061(4) -.5091(3) .0720(10) Uani d . 1.000
C(17) .0413(4) -.3379(4) -.5515(3) .0760(10) Uani d . 1.000
C(18) .1881(5) -.4311(3) -.5185(3) .0750(10) Uani d . 1.000
C(19) .2647(4) -.3892(3) -.4417(2) .0580(10) Uani d . 1.000
H(1) .5249 .0235 -.1662 .050 Uiso c . 1.000
H(2) .2153 .1444 -.2470 .066 Uiso c . 1.000
H(3) .2406 .1684 -.1279 .066 Uiso c . 1.000
H(4) .2577 .3530 -.2349 .090 Uiso c . 1.000
H(5) .4278 .2793 -.1877 .090 Uiso c . 1.000
H(6) .3771 .2383 -.4001 .103 Uiso c . 1.000
H(7) .4960 .3119 -.3674 .103 Uiso c . 1.000
H(8) .6527 .0866 -.4366 .087 Uiso c . 1.000
H(9) .6828 .1076 -.3180 .087 Uiso c . 1.000
H(10) .6421 -.1010 -.3310 .068 Uiso c . 1.000
H(11) .4698 -.0275 -.3760 .068 Uiso c . 1.000
H(12) .6103 -.3063 -.2565 .047 Uiso c . 1.000
H(13) .7551 -.2096 -.1560 .070 Uiso c . 1.000
H(14) .6904 -.2674 -.0503 .070 Uiso c . 1.000
H(15) .9200 -.4337 -.2252 .093 Uiso c . 1.000
H(16) .9699 -.4143 -.1118 .093 Uiso c . 1.000
H(17) .9333 -.6270 -.1282 .095 Uiso c . 1.000
H(18) .8048 -.5334 -.0325 .095 Uiso c . 1.000
H(19) .7213 -.5693 -.2380 .078 Uiso c . 1.000
H(20) .6573 -.6268 -.1319 .078 Uiso c . 1.000
H(21) .4901 -.4049 -.0645 .062 Uiso c . 1.000
H(22) .4430 -.4256 -.1784 .062 Uiso c . 1.000
H(23) .0018 -.0688 -.4010 .072 Uiso c . 1.000
H(24) -.1242 -.1415 -.5334 .087 Uiso c . 1.000
H(25) -.0134 -.3665 -.6040 .091 Uiso c . 1.000
H(26) .2363 -.5242 -.5488 .090 Uiso c . 1.000
H(27) .3669 -.4538 -.4198 .070 Uiso c . 1.000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu .0317(2) .0561(4) .0385(3) -.0191(2) .0000(2) -.0067(2)
S(1) .0311(4) .1278(8) .0494(5) -.0289(5) .0014(3) -.0320(5)
S(2) .0351(4) .0711(6) .0366(4) -.0103(4) -.0057(3) -.0041(4)
P(1) .0290(3) .0423(4) .0377(4) -.0114(3) -.0057(3) -.0010(3)
N(1) .0340(10) .0470(10) .0380(10) -.0110(10) -.0074(9) -.0030(10)
C(1) .0290(10) .052(2) .0380(10) -.0170(10) -.0050(10) -.0030(10)
C(2) .0320(10) .044(2) .054(2) -.0170(10) -.0110(10) .0040(10)
C(3) .040(2) .043(2) .076(2) -.0080(10) -.0070(10) .005(2)
C(4) .055(2) .039(2) .123(3) -.008(2) -.012(2) .014(2)
C(5) .063(2) .060(2) .138(4) -.025(2) -.014(2) .048(2)
C(6) .056(2) .065(2) .091(3) -.020(2) .005(2) .030(2)
C(7) .050(2) .053(2) .060(2) -.015(2) .0050(10) .008(2)
C(8) .0330(10) .035(2) .043(2) -.0070(10) -.0020(10) -.0020(10)
C(9) .038(2) .055(2) .082(2) -.0120(10) -.021(2) .003(2)
C(10) .035(2) .066(2) .120(3) -.002(2) -.023(2) .001(2)
C(11) .058(2) .060(2) .099(3) .005(2) -.018(2) .014(2)
C(12) .073(2) .043(2) .070(2) -.014(2) .000(2) .010(2)
C(13) .051(2) .049(2) .054(2) -.0170(10) -.0100(10) .0090(10)
C(14) .0390(10) .049(2) .0330(10) -.0170(10) -.0020(10) -.0020(10)
C(15) .050(2) .064(2) .053(2) -.004(2) -.0120(10) -.013(2)
C(16) .046(2) .098(3) .062(2) -.011(2) -.019(2) -.018(2)
C(17) .068(2) .112(3) .060(2) -.046(2) -.014(2) -.018(2)
C(18) .096(3) .063(2) .069(2) -.031(2) -.014(2) -.018(2)
C(19) .066(2) .050(2) .053(2) -.010(2) -.018(2) -.001(2)
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C .002 .002
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
H .000 .000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Cu .263 1.266
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P .090 .095
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
S .110 .124
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
N .004 .003
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-2 0 -2
-2 1 -2
-1 0 -2
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
S(1) Cu S(1) . . 180.00 no
S(1) Cu S(2) . . 95.85(4) yes
S(1) Cu S(2) . 2 84.15(4) yes
S(1) Cu S(2) 2 . 84.15(4) no
S(1) Cu S(2) 2 2 95.85(4) no
S(2) Cu S(2) . . 180.00 no
Cu S(1) C(1) . . 109.00(10) yes
Cu S(2) P(1) . . 102.47(5) yes
S(2) P(1) C(1) . . 110.20(10) yes
S(2) P(1) C(2) . . 111.30(10) yes
S(2) P(1) C(8) . . 111.10(10) yes
C(1) P(1) C(2) . . 107.6(2) yes
C(1) P(1) C(8) . . 107.6(2) yes
C(2) P(1) C(8) . . 108.8(2) yes
C(1) N(1) C(14) . . 123.9(3) yes
S(1) C(1) P(1) . . 117.1(2) yes
S(1) C(1) N(1) . . 131.0(3) yes
P(1) C(1) N(1) . . 111.9(2) yes
P(1) C(2) C(3) . . 112.4(2) no
P(1) C(2) C(7) . . 114.3(3) no
P(1) C(2) H(1) . . 106.2 no
C(3) C(2) C(7) . . 110.6(3) no
C(3) C(2) H(1) . . 106.3 no
C(7) C(2) H(1) . . 106.3 no
C(2) C(3) C(4) . . 110.5(3) no
C(2) C(3) H(2) . . 109.2 no
C(2) C(3) H(3) . . 109.1 no
C(4) C(3) H(2) . . 109.3 no
C(4) C(3) H(3) . . 109.2 no
H(2) C(3) H(3) . . 109.6 no
C(3) C(4) C(5) . . 111.2(4) no
C(3) C(4) H(4) . . 109.1 no
C(3) C(4) H(5) . . 109.2 no
C(5) C(4) H(4) . . 108.9 no
C(5) C(4) H(5) . . 109.0 no
H(4) C(4) H(5) . . 109.5 no
C(4) C(5) C(6) . . 112.4(4) no
C(4) C(5) H(6) . . 108.7 no
C(4) C(5) H(7) . . 108.7 no
C(6) C(5) H(6) . . 108.8 no
C(6) C(5) H(7) . . 108.9 no
H(6) C(5) H(7) . . 109.5 no
C(5) C(6) C(7) . . 111.8(3) no
C(5) C(6) H(8) . . 108.9 no
C(5) C(6) H(9) . . 108.8 no
C(7) C(6) H(8) . . 109.0 no
C(7) C(6) H(9) . . 108.9 no
H(8) C(6) H(9) . . 109.4 no
C(2) C(7) C(6) . . 110.1(3) no
C(2) C(7) H(10) . . 109.3 no
C(2) C(7) H(11) . . 109.4 no
C(6) C(7) H(10) . . 109.3 no
C(6) C(7) H(11) . . 109.3 no
H(10) C(7) H(11) . . 109.4 no
P(1) C(8) C(9) . . 111.8(2) no
P(1) C(8) C(13) . . 111.7(2) no
P(1) C(8) H(12) . . 107.6 no
C(9) C(8) C(13) . . 110.3(3) no
C(9) C(8) H(12) . . 107.5 no
C(13) C(8) H(12) . . 107.6 no
C(8) C(9) C(10) . . 110.9(3) no
C(8) C(9) H(13) . . 109.2 no
C(8) C(9) H(14) . . 109.0 no
C(10) C(9) H(13) . . 109.4 no
C(10) C(9) H(14) . . 109.1 no
H(13) C(9) H(14) . . 109.3 no
C(9) C(10) C(11) . . 111.1(3) no
C(9) C(10) H(15) . . 109.0 no
C(9) C(10) H(16) . . 109.2 no
C(11) C(10) H(15) . . 109.1 no
C(11) C(10) H(16) . . 109.2 no
H(15) C(10) H(16) . . 109.3 no
C(10) C(11) C(12) . . 111.0(4) no
C(10) C(11) H(17) . . 109.1 no
C(10) C(11) H(18) . . 109.0 no
C(12) C(11) H(17) . . 109.1 no
C(12) C(11) H(18) . . 109.2 no
H(17) C(11) H(18) . . 109.4 no
C(11) C(12) C(13) . . 111.7(3) no
C(11) C(12) H(19) . . 109.1 no
C(11) C(12) H(20) . . 108.9 no
C(13) C(12) H(19) . . 108.8 no
C(13) C(12) H(20) . . 108.7 no
H(19) C(12) H(20) . . 109.6 no
C(8) C(13) C(12) . . 111.1(3) no
C(8) C(13) H(21) . . 109.0 no
C(8) C(13) H(22) . . 109.1 no
C(12) C(13) H(21) . . 109.1 no
C(12) C(13) H(22) . . 109.1 no
H(21) C(13) H(22) . . 109.4 no
N(1) C(14) C(15) . . 124.9(3) no
N(1) C(14) C(19) . . 116.7(3) no
C(15) C(14) C(19) . . 118.2(3) no
C(14) C(15) C(16) . . 119.6(4) no
C(14) C(15) H(23) . . 120.3 no
C(16) C(15) H(23) . . 120.1 no
C(15) C(16) C(17) . . 121.5(4) no
C(15) C(16) H(24) . . 119.3 no
C(17) C(16) H(24) . . 119.2 no
C(16) C(17) C(18) . . 119.6(4) no
C(16) C(17) H(25) . . 120.2 no
C(18) C(17) H(25) . . 120.2 no
C(17) C(18) C(19) . . 119.7(4) no
C(17) C(18) H(26) . . 120.0 no
C(19) C(18) H(26) . . 120.3 no
C(14) C(19) C(18) . . 121.4(4) no
C(14) C(19) H(27) . . 119.3 no
C(18) C(19) H(27) . . 119.2 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cu S(1) 2.2740(10) yes
Cu S(2) 2.3070(10) yes
S(1) C(1) 1.726(3) yes
S(2) P(1) 1.9990(10) yes
P(1) C(1) 1.834(3) yes
P(1) C(2) 1.823(4) yes
P(1) C(8) 1.820(3) yes
N(1) C(1) 1.272(4) yes
N(1) C(14) 1.412(4) yes
C(2) C(3) 1.522(5) no
C(2) C(7) 1.534(5) no
C(2) H(1) .95 no
C(3) C(4) 1.530(5) no
C(3) H(2) .95 no
C(3) H(3) .95 no
C(4) C(5) 1.504(6) no
C(4) H(4) .95 no
C(4) H(5) .95 no
C(5) C(6) 1.490(6) no
C(5) H(6) .95 no
C(5) H(7) .95 no
C(6) C(7) 1.530(5) no
C(6) H(8) .95 no
C(6) H(9) .95 no
C(7) H(10) .95 no
C(7) H(11) .95 no
C(8) C(9) 1.533(4) no
C(8) C(13) 1.537(5) no
C(8) H(12) .95 no
C(9) C(10) 1.528(5) no
C(9) H(13) .95 no
C(9) H(14) .95 no
C(10) C(11) 1.516(6) no
C(10) H(15) .95 no
C(10) H(16) .95 no
C(11) C(12) 1.515(5) no
C(11) H(17) .95 no
C(11) H(18) .95 no
C(12) C(13) 1.513(5) no
C(12) H(19) .95 no
C(12) H(20) .95 no
C(13) H(21) .95 no
C(13) H(22) .95 no
C(14) C(15) 1.381(4) no
C(14) C(19) 1.376(5) no
C(15) C(16) 1.387(5) no
C(15) H(23) .95 no
C(16) C(17) 1.342(6) no
C(16) H(24) .95 no
C(17) C(18) 1.374(6) no
C(17) H(25) .95 no
C(18) C(19) 1.370(5) no
C(18) H(26) .95 no
C(19) H(27) .95 no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
S(1) C(9) 3.834(4) 1_455 no
S(2) C(2) 3.878(3) 2_655 no
C(5) C(19) 3.803(6) 1_565 no
C(5) C(19) 3.958(6) 2_654 no
C(6) C(15) 3.763(5) 1_655 no
C(6) C(16) 3.819(6) 1_655 no
C(6) C(15) 3.854(6) 2_654 no
C(6) C(14) 3.863(5) 2_654 no
C(7) C(16) 3.839(5) 1_655 no
C(12) C(17) 3.887(6) 2_644 no
C(12) C(18) 3.949(6) 2_644 no
C(12) C(13) 4.000(5) 2_645 no
C(13) C(13) 3.917(7) 2_645 no
C(15) C(15) 3.629(9) 2_554 no
C(15) C(16) 3.800(6) 2_554 no
C(17) C(18) 3.614(6) 2_544 no
C(17) C(17) 3.840(10) 2_544 no
C(18) C(18) 3.896(9) 2_544 no
C(19) C(19) 3.861(8) 2_644 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_publ_flag
Cu S(1) C(1) P(1) -11.3(2) no
Cu S(1) C(1) N(1) 166.4(3) no
Cu S(2) P(1) C(1) -23.20(10) no
Cu S(2) P(1) C(2) 96.00(10) no
Cu S(2) P(1) C(8) -142.50(10) no
S(1) Cu S(1) C(1) 142.50(10) no
S(1) Cu S(2) P(1) 15.15(6) no
S(1) C(1) P(1) S(2) 23.8(2) no
S(1) C(1) P(1) C(2) -97.7(2) no
S(1) C(1) P(1) C(8) 145.2(2) no
S(1) C(1) N(1) C(14) -.3(6) no
S(2) Cu S(1) C(1) -3.70(10) no
S(2) Cu S(2) P(1) -176.30(10) no
S(2) P(1) C(1) N(1) -154.3(2) no
S(2) P(1) C(2) C(3) -61.0(3) no
S(2) P(1) C(2) C(7) 171.7(2) no
S(2) P(1) C(8) C(9) -64.5(3) no
S(2) P(1) C(8) C(13) 59.7(3) no
P(1) C(1) N(1) C(14) 177.5(3) no
P(1) C(2) C(3) C(4) 173.8(3) no
P(1) C(2) C(7) C(6) -175.4(3) no
P(1) C(8) C(9) C(10) -179.4(3) no
P(1) C(8) C(13) C(12) 179.6(3) no
N(1) C(1) P(1) C(2) 84.2(3) no
N(1) C(1) P(1) C(8) -33.0(3) no
N(1) C(14) C(15) C(16) 175.2(4) no
N(1) C(14) C(19) C(18) -176.3(4) no
C(1) P(1) C(2) C(3) 59.8(3) no
C(1) P(1) C(2) C(7) -67.5(3) no
C(1) P(1) C(8) C(9) 174.8(2) no
C(1) P(1) C(8) C(13) -61.0(3) no
C(1) N(1) C(14) C(15) 45.8(6) no
C(1) N(1) C(14) C(19) -139.9(4) no
C(2) P(1) C(8) C(9) 58.5(3) no
C(2) P(1) C(8) C(13) -177.4(2) no
C(2) C(3) C(4) C(5) 55.8(5) no
C(2) C(7) C(6) C(5) -55.3(5) no
C(3) C(2) P(1) C(8) 176.1(3) no
C(3) C(2) C(7) C(6) 56.4(4) no
C(3) C(4) C(5) C(6) -55.1(5) no
C(4) C(3) C(2) C(7) -57.0(4) no
C(4) C(5) C(6) C(7) 55.1(5) no
C(7) C(2) P(1) C(8) 48.9(3) no
C(8) C(9) C(10) C(11) -56.5(5) no
C(8) C(13) C(12) C(11) 55.8(5) no
C(9) C(8) C(13) C(12) -55.4(4) no
C(9) C(10) C(11) C(12) 56.2(5) no
C(10) C(9) C(8) C(13) 55.7(4) no
C(10) C(11) C(12) C(13) -56.2(5) no
C(14) C(15) C(16) C(17) .5(7) no
C(14) C(19) C(18) C(17) .7(7) no
C(15) C(14) C(19) C(18) -1.7(7) no
C(15) C(16) C(17) C(18) -1.5(8) no
C(16) C(15) C(14) C(19) 1.1(6) no
C(16) C(17) C(18) C(19) .8(8) no