#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/09/7010998.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_7010998
loop_
_publ_author_name
'Lang, Jian-Ping'
'Kawaguchi, Hiroyuki'
'Tatsumi, Kazuyuki'
_publ_section_title
;
 Reactions of tetrathiotungstate and tetrathiomolybdate with
 substituted haloalkanes
;
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2573
_journal_paper_doi               10.1039/b106572f
_journal_year                    2002
_chemical_formula_sum            'C28 H28 Cl P S4 W'
_chemical_formula_weight         743.05
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Mon Mar 25 09:44:35 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 97.54(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.806(10)
_cell_length_b                   13.56(2)
_cell_length_c                   22.78(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.1
_cell_measurement_theta_min      14.9
_cell_volume                     3003(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 0.7745
_diffrn_measured_fraction_theta_max 0.7745
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.041
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            4491
_diffrn_reflns_theta_full        25.14
_diffrn_reflns_theta_max         25.14
_diffrn_standards_decay_%        17.60
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.287
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.550
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.600
_exptl_crystal_size_min          0.500
_refine_diff_density_max         1.19
_refine_diff_density_min         -1.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.091
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     334
_refine_ls_number_reflns         2940
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.1148
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00026|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0760
_reflns_number_gt                2940
_reflns_number_total             4158
_reflns_threshold_expression     F²>3.0σ(F²)
_cod_data_source_file            b106572f.txt
_cod_data_source_block           '[PPh4][WS3(S-CH2CH2CH2CH2C'
_cod_original_cell_volume        3003(4)
_cod_original_formula_sum        'C28 H28 Cl P S4 W '
_cod_database_code               7010998
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W W 0.25252(3) 0.21404(3) 0.36400(2) 0.05947(10) Uani 1.00 d . . .
Cl(1a) Cl -0.0136(8) 0.0959(8) 0.0606(5) 0.177(4) Uani 0.50 d P . .
Cl(1b) Cl -0.024(1) 0.074(1) 0.0708(4) 0.193(4) Uani 0.50 d P . .
S(1) S 0.1814(3) 0.0691(2) 0.3159(1) 0.1000(9) Uani 1.00 d . . .
S(2) S 0.4572(2) 0.1956(2) 0.4067(1) 0.0696(7) Uani 1.00 d . . .
S(3) S 0.1151(3) 0.2353(3) 0.4281(1) 0.1045(10) Uani 1.00 d . . .
S(4) S 0.2409(2) 0.3312(2) 0.3002(1) 0.0838(8) Uani 1.00 d . . .
P P 0.5324(2) 0.2155(2) 0.61828(9) 0.0471(5) Uani 1.00 d . . .
C(1) C 0.253(1) 0.0676(9) 0.2478(5) 0.114(4) Uani 1.00 d . . .
C(2) C 0.163(1) 0.082(1) 0.1929(6) 0.130(5) Uani 1.00 d . . .
C(3) C 0.034(1) 0.029(1) 0.1798(5) 0.137(5) Uani 1.00 d . . .
C(4a) C -0.007(3) 0.004(1) 0.1159(5) 0.147(8) Uani 0.50 d P . .
C(4b) C -0.093(1) 0.044(3) 0.1362(7) 0.17(1) Uani 0.50 d P . .
C(5) C 0.4795(7) 0.3395(6) 0.5987(3) 0.051(2) Uani 1.00 d . . .
C(6) C 0.5175(7) 0.4178(6) 0.6347(3) 0.059(2) Uani 1.00 d . . .
C(7) C 0.4755(10) 0.5114(6) 0.6202(4) 0.079(3) Uani 1.00 d . . .
C(8) C 0.3884(9) 0.5262(6) 0.5662(5) 0.080(3) Uani 1.00 d . . .
C(9) C 0.3533(10) 0.4484(7) 0.5295(4) 0.086(3) Uani 1.00 d . . .
C(10) C 0.3986(8) 0.3555(6) 0.5443(4) 0.065(2) Uani 1.00 d . . .
C(11) C 0.6434(7) 0.2178(5) 0.6877(3) 0.052(2) Uani 1.00 d . . .
C(12) C 0.5905(8) 0.2247(6) 0.7405(4) 0.063(2) Uani 1.00 d . . .
C(13) C 0.6730(10) 0.2317(6) 0.7925(3) 0.072(2) Uani 1.00 d . . .
C(14) C 0.8120(10) 0.2294(7) 0.7937(4) 0.082(2) Uani 1.00 d . . .
C(15) C 0.8620(9) 0.2185(7) 0.7420(4) 0.082(3) Uani 1.00 d . . .
C(16) C 0.7866(7) 0.2125(6) 0.6890(4) 0.066(2) Uani 1.00 d . . .
C(17) C 0.6252(7) 0.1687(6) 0.5629(3) 0.051(2) Uani 1.00 d . . .
C(18) C 0.7133(8) 0.2322(6) 0.5373(4) 0.064(3) Uani 1.00 d . . .
C(19) C 0.7968(8) 0.1971(8) 0.4992(4) 0.076(3) Uani 1.00 d . . .
C(20) C 0.8033(9) 0.0962(8) 0.4887(4) 0.081(3) Uani 1.00 d . . .
C(21) C 0.726(1) 0.0337(7) 0.5141(5) 0.095(4) Uani 1.00 d . . .
C(22) C 0.6296(8) 0.0685(6) 0.5520(4) 0.066(2) Uani 1.00 d . . .
C(23) C 0.3854(7) 0.1408(6) 0.6281(3) 0.056(2) Uani 1.00 d . . .
C(24) C 0.2524(7) 0.1720(6) 0.6103(4) 0.067(2) Uani 1.00 d . . .
C(25) C 0.1455(8) 0.1129(8) 0.6223(5) 0.095(3) Uani 1.00 d . . .
C(26) C 0.170(1) 0.0241(8) 0.6511(5) 0.114(4) Uani 1.00 d . . .
C(27) C 0.297(1) -0.0045(7) 0.6692(5) 0.104(3) Uani 1.00 d . . .
C(28) C 0.4090(8) 0.0503(6) 0.6601(4) 0.070(3) Uani 1.00 d . . .
H(1) H 0.5763 0.4065 0.6718 0.0709 Uiso 1.00 calc . . .
H(2) H 0.5043 0.5664 0.6461 0.0949 Uiso 1.00 calc . . .
H(3) H 0.3540 0.5917 0.5553 0.0960 Uiso 1.00 calc . . .
H(4) H 0.2950 0.4592 0.4923 0.1031 Uiso 1.00 calc . . .
H(5) H 0.3750 0.3010 0.5173 0.0774 Uiso 1.00 calc . . .
H(6) H 0.4915 0.2246 0.7403 0.0755 Uiso 1.00 calc . . .
H(7) H 0.6332 0.2384 0.8291 0.0860 Uiso 1.00 calc . . .
H(8) H 0.8729 0.2354 0.8307 0.0979 Uiso 1.00 calc . . .
H(9) H 0.9612 0.2147 0.7433 0.0978 Uiso 1.00 calc . . .
H(10) H 0.8287 0.2048 0.6531 0.0787 Uiso 1.00 calc . . .
H(11) H 0.7146 0.3019 0.5469 0.0767 Uiso 1.00 calc . . .
H(12) H 0.8519 0.2424 0.4792 0.0914 Uiso 1.00 calc . . .
H(13) H 0.8656 0.0715 0.4625 0.0977 Uiso 1.00 calc . . .
H(14) H 0.7340 -0.0365 0.5072 0.1135 Uiso 1.00 calc . . .
H(15) H 0.5696 0.0231 0.5693 0.0795 Uiso 1.00 calc . . .
H(16) H 0.2348 0.2342 0.5897 0.0805 Uiso 1.00 calc . . .
H(17) H 0.0515 0.1341 0.6103 0.1134 Uiso 1.00 calc . . .
H(18) H 0.0930 -0.0175 0.6581 0.1372 Uiso 1.00 calc . . .
H(19) H 0.3113 -0.0670 0.6899 0.1249 Uiso 1.00 calc . . .
H(20) H 0.5015 0.0285 0.6748 0.0842 Uiso 1.00 calc . . .
H(21) H 0.3219 0.1195 0.2502 0.1372 Uiso 1.00 calc . . .
H(22) H 0.2977 0.0042 0.2453 0.1372 Uiso 1.00 calc . . .
H(23) H 0.1398 0.1513 0.1911 0.1566 Uiso 1.00 calc . . .
H(24) H 0.2171 0.0658 0.1614 0.1566 Uiso 1.00 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 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
S S 0.125 0.123
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
W W -0.849 6.872
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S(1) W S(2) 108.9(2) . . . yes
S(1) W S(3) 105.2(2) . . . yes
S(1) W S(4) 108.8(2) . . . yes
S(2) W S(3) 110.2(2) . . . yes
S(2) W S(4) 111.1(2) . . . yes
S(3) W S(4) 112.4(2) . . . yes
Cl(1b) Cl(1a) C(4a) 17(3) . . . yes
Cl(1b) Cl(1a) C(4b) 28(5) . . . yes
C(4a) Cl(1a) C(4b) 33(1) . . . yes
Cl(1a) Cl(1b) C(4a) 157(5) . . . yes
Cl(1a) Cl(1b) C(4b) 145(6) . . . yes
C(4a) Cl(1b) C(4b) 40(2) . . . yes
W S(1) C(1) 107.0(7) . . . yes
C(5) P C(11) 108.9(6) . . . yes
C(5) P C(17) 108.5(6) . . . yes
C(5) P C(23) 110.3(6) . . . yes
C(11) P C(17) 109.0(6) . . . yes
C(11) P C(23) 107.6(6) . . . yes
C(17) P C(23) 112.5(6) . . . yes
S(1) C(1) C(2) 118(1) . . . yes
C(1) C(2) C(3) 121(1) . . . yes
C(2) C(3) C(4a) 115(2) . . . yes
C(2) C(3) C(4b) 133(2) . . . yes
C(4a) C(3) C(4b) 45(2) . . . yes
Cl(1a) C(4a) Cl(1b) 4(1) . . . yes
Cl(1a) C(4a) C(3) 120(1) . . . yes
Cl(1a) C(4a) C(4b) 89(2) . . . yes
Cl(1b) C(4a) C(3) 123(2) . . . yes
Cl(1b) C(4a) C(4b) 86(2) . . . yes
C(3) C(4a) C(4b) 67(1) . . . yes
Cl(1a) C(4b) Cl(1b) 6(1) . . . yes
Cl(1a) C(4b) C(3) 102(1) . . . yes
Cl(1a) C(4b) C(4a) 57(1) . . . yes
Cl(1b) C(4b) C(3) 102(1) . . . yes
Cl(1b) C(4b) C(4a) 52(1) . . . yes
C(3) C(4b) C(4a) 66(1) . . . yes
P C(5) C(6) 122(1) . . . yes
P C(5) C(10) 118(1) . . . yes
C(6) C(5) C(10) 119(1) . . . yes
C(5) C(6) C(7) 121(1) . . . yes
C(6) C(7) C(8) 118(1) . . . yes
C(7) C(8) C(9) 119(1) . . . yes
C(8) C(9) C(10) 121(1) . . . yes
C(5) C(10) C(9) 119(1) . . . yes
P C(11) C(12) 121.1(10) . . . yes
P C(11) C(16) 120(1) . . . yes
C(12) C(11) C(16) 118(1) . . . yes
C(11) C(12) C(13) 121(1) . . . yes
C(12) C(13) C(14) 120(1) . . . yes
C(13) C(14) C(15) 117(1) . . . yes
C(14) C(15) C(16) 125(1) . . . yes
C(11) C(16) C(15) 116(1) . . . yes
P C(17) C(18) 118(1) . . . yes
P C(17) C(22) 120(1) . . . yes
C(18) C(17) C(22) 119(1) . . . yes
C(17) C(18) C(19) 120(1) . . . yes
C(18) C(19) C(20) 119(1) . . . yes
C(19) C(20) C(21) 120(1) . . . yes
C(20) C(21) C(22) 120(1) . . . yes
C(17) C(22) C(21) 117(1) . . . yes
P C(23) C(24) 122(1) . . . yes
P C(23) C(28) 117.9(10) . . . yes
C(24) C(23) C(28) 119(1) . . . yes
C(23) C(24) C(25) 118(1) . . . yes
C(24) C(25) C(26) 121(1) . . . yes
C(25) C(26) C(27) 120(1) . . . yes
C(26) C(27) C(28) 122(1) . . . yes
C(23) C(28) C(27) 117(1) . . . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W S(1) 2.313(5) . . yes
W S(2) 2.128(4) . . yes
W S(3) 2.133(4) . . yes
W S(4) 2.148(4) . . yes
Cl(1a) Cl(1b) 0.40(3) . . yes
Cl(1a) C(4a) 1.77(1) . . yes
Cl(1a) C(4b) 2.10(3) . . yes
Cl(1b) C(4a) 1.40(3) . . yes
Cl(1b) C(4b) 1.76(1) . . yes
S(1) C(1) 1.79(2) . . yes
P C(5) 1.80(1) . . yes
P C(11) 1.80(1) . . yes
P C(17) 1.77(1) . . yes
P C(23) 1.80(1) . . yes
C(1) C(2) 1.45(3) . . yes
C(2) C(3) 1.45(3) . . yes
C(3) C(4a) 1.50(1) . . yes
C(3) C(4b) 1.51(1) . . yes
C(4a) C(4b) 1.16(6) . . yes
C(5) C(6) 1.36(2) . . yes
C(5) C(10) 1.40(2) . . yes
C(6) C(7) 1.36(2) . . yes
C(7) C(8) 1.42(2) . . yes
C(8) C(9) 1.36(2) . . yes
C(9) C(10) 1.36(2) . . yes
C(11) C(12) 1.37(2) . . yes
C(11) C(16) 1.40(2) . . yes
C(12) C(13) 1.35(2) . . yes
C(13) C(14) 1.36(2) . . yes
C(14) C(15) 1.34(2) . . yes
C(15) C(16) 1.33(2) . . yes
C(17) C(18) 1.40(2) . . yes
C(17) C(22) 1.38(2) . . yes
C(18) C(19) 1.35(2) . . yes
C(19) C(20) 1.39(2) . . yes
C(20) C(21) 1.32(2) . . yes
C(21) C(22) 1.44(2) . . yes
C(23) C(24) 1.38(2) . . yes
C(23) C(28) 1.43(2) . . yes
C(24) C(25) 1.38(2) . . yes
C(25) C(26) 1.38(3) . . yes
C(26) C(27) 1.32(3) . . yes
C(27) C(28) 1.37(2) . . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Cl(1a) C(18) 3.54(2) . 4_454 ?
Cl(1a) C(19) 3.55(2) . 4_454 ?
C(8) C(9) 3.57(2) . 3_666 ?
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
W S(1) C(1) C(2) -108(1) . . . . yes
Cl(1a) Cl(1b) C(4a) C(3) 58(17) . . . . yes
Cl(1a) Cl(1b) C(4a) C(4b) 119(16) . . . . yes
Cl(1a) Cl(1b) C(4b) C(3) -95(8) . . . . yes
Cl(1a) Cl(1b) C(4b) C(4a) -143(8) . . . . yes
Cl(1a) C(4a) Cl(1b) C(4b) -119(16) . . . . yes
Cl(1a) C(4a) C(3) C(2) -52(4) . . . . yes
Cl(1a) C(4a) C(3) C(4b) 74(3) . . . . yes
Cl(1a) C(4a) C(4b) Cl(1b) 4(1) . . . . yes
Cl(1a) C(4a) C(4b) C(3) -124(2) . . . . yes
Cl(1a) C(4b) Cl(1b) C(4a) 143(8) . . . . yes
Cl(1a) C(4b) C(3) C(2) 38(5) . . . . yes
Cl(1a) C(4b) C(3) C(4a) -45(1) . . . . yes
Cl(1a) C(4b) C(4a) Cl(1b) -4(1) . . . . yes
Cl(1a) C(4b) C(4a) C(3) 124(2) . . . . yes
Cl(1b) Cl(1a) C(4a) C(3) -123(17) . . . . yes
Cl(1b) Cl(1a) C(4a) C(4b) -60(16) . . . . yes
Cl(1b) Cl(1a) C(4b) C(3) 85(8) . . . . yes
Cl(1b) Cl(1a) C(4b) C(4a) 34(8) . . . . yes
Cl(1b) C(4a) Cl(1a) C(4b) 60(16) . . . . yes
Cl(1b) C(4a) C(3) C(2) -57(4) . . . . yes
Cl(1b) C(4a) C(3) C(4b) 69(4) . . . . yes
Cl(1b) C(4a) C(4b) C(3) -128(2) . . . . yes
Cl(1b) C(4b) Cl(1a) C(4a) -34(8) . . . . yes
Cl(1b) C(4b) C(3) C(2) 44(5) . . . . yes
Cl(1b) C(4b) C(3) C(4a) -39(2) . . . . yes
Cl(1b) C(4b) C(4a) C(3) 128(2) . . . . yes
S(1) C(1) C(2) C(3) -47(3) . . . . yes
S(2) W S(1) C(1) -80.1(7) . . . . yes
S(3) W S(1) C(1) 161.8(7) . . . . yes
S(4) W S(1) C(1) 41.1(7) . . . . yes
P C(5) C(6) C(7) -178(1) . . . . yes
P C(5) C(10) C(9) 177(1) . . . . yes
P C(11) C(12) C(13) -176(1) . . . . yes
P C(11) C(16) C(15) 177(1) . . . . yes
P C(17) C(18) C(19) 173(1) . . . . yes
P C(17) C(22) C(21) -169(1) . . . . yes
P C(23) C(24) C(25) -176(1) . . . . yes
P C(23) C(28) C(27) 177(1) . . . . yes
C(1) C(2) C(3) C(4a) -146(2) . . . . yes
C(1) C(2) C(3) C(4b) 161(3) . . . . yes
C(2) C(3) C(4a) C(4b) -127(4) . . . . yes
C(2) C(3) C(4b) C(4a) 83(4) . . . . yes
C(3) C(4a) Cl(1a) C(4b) -63(2) . . . . yes
C(3) C(4a) Cl(1b) C(4b) -60(3) . . . . yes
C(3) C(4b) Cl(1a) C(4a) 51(1) . . . . yes
C(3) C(4b) Cl(1b) C(4a) 47(2) . . . . yes
C(4a) Cl(1a) Cl(1b) C(4b) 90(16) . . . . yes
C(4a) Cl(1b) Cl(1a) C(4b) -90(16) . . . . yes
C(5) P C(11) C(12) 79(1) . . . . yes
C(5) P C(11) C(16) -100(1) . . . . yes
C(5) P C(17) C(18) 37(1) . . . . yes
C(5) P C(17) C(22) -153(1) . . . . yes
C(5) P C(23) C(24) 12(1) . . . . yes
C(5) P C(23) C(28) -162(1) . . . . yes
C(5) C(6) C(7) C(8) 0(2) . . . . yes
C(5) C(10) C(9) C(8) 1(2) . . . . yes
C(6) C(5) P C(11) -2(1) . . . . yes
C(6) C(5) P C(17) -121(1) . . . . yes
C(6) C(5) P C(23) 115(1) . . . . yes
C(6) C(5) C(10) C(9) -3(2) . . . . yes
C(6) C(7) C(8) C(9) -2(2) . . . . yes
C(7) C(6) C(5) C(10) 2(2) . . . . yes
C(7) C(8) C(9) C(10) 1(2) . . . . yes
C(10) C(5) P C(11) 176(1) . . . . yes
C(10) C(5) P C(17) 57(1) . . . . yes
C(10) C(5) P C(23) -65(1) . . . . yes
C(11) P C(17) C(18) -80(1) . . . . yes
C(11) P C(17) C(22) 88(1) . . . . yes
C(11) P C(23) C(24) 131(1) . . . . yes
C(11) P C(23) C(28) -43(1) . . . . yes
C(11) C(12) C(13) C(14) -1(2) . . . . yes
C(11) C(16) C(15) C(14) 0(2) . . . . yes
C(12) C(11) P C(17) -162(1) . . . . yes
C(12) C(11) P C(23) -39(1) . . . . yes
C(12) C(11) C(16) C(15) -2(2) . . . . yes
C(12) C(13) C(14) C(15) -1(2) . . . . yes
C(13) C(12) C(11) C(16) 3(2) . . . . yes
C(13) C(14) C(15) C(16) 2(2) . . . . yes
C(16) C(11) P C(17) 17(1) . . . . yes
C(16) C(11) P C(23) 140(1) . . . . yes
C(17) P C(23) C(24) -108(1) . . . . yes
C(17) P C(23) C(28) 76(1) . . . . yes
C(17) C(18) C(19) C(20) -4(2) . . . . yes
C(17) C(22) C(21) C(20) -2(2) . . . . yes
C(18) C(17) P C(23) 160(1) . . . . yes
C(18) C(17) C(22) C(21) 0(2) . . . . yes
C(18) C(19) C(20) C(21) 2(2) . . . . yes
C(19) C(18) C(17) C(22) 3(2) . . . . yes
C(19) C(20) C(21) C(22) 1(2) . . . . yes
C(22) C(17) P C(23) -30(1) . . . . yes
C(23) C(24) C(25) C(26) 0(2) . . . . yes
C(23) C(28) C(27) C(26) -1(2) . . . . yes
C(24) C(23) C(28) C(27) 3(2) . . . . yes
C(24) C(25) C(26) C(27) 1(3) . . . . yes
C(25) C(24) C(23) C(28) -1(2) . . . . yes
C(25) C(26) C(27) C(28) 0(3) . . . . yes
C(25) C(26) C(27) C(28) 0(3) . . . . yes
