#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:16:03 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179782 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/78/7007806.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_7007806
loop_
_publ_author_name
'Uzelmeier, Calvin E.'
'Smucker, Bradley W.'
'Reinheimer, Eric W.'
'Shatruk, Mikhail'
'O'Neal, Amanda W'
'Fourmigué, Marc'
'Dunbar, Kim R.'
_publ_section_title
;
 A series of complexes of the phosphorus-based TTF ligand o-P2 with the
 metal ions Fe(II), Co(II), Ni(II), Pd(II), Pt(II), and Ag(I).
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5259
_journal_page_last               5268
_journal_paper_doi               10.1039/b610659e
_journal_year                    2006
_chemical_formula_moiety
'2(C64 H52 P4 Pt S8), 4(C7 H8.75), C14 H19, 4(B F4)'
_chemical_formula_sum            'C170 H158 B4 F16 P8 Pt2 S16'
_chemical_formula_weight         3693.20
_chemical_name_systematic
;
?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
SHELXL-97, PLATON, and text editor.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 127.072(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   24.617(2)
_cell_length_b                   14.3476(13)
_cell_length_c                   15.5292(13)
_cell_measurement_temperature    163(2)
_cell_volume                     4376.2(9)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART V5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2221
_diffrn_reflns_av_sigmaI/netI    0.2498
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21317
_diffrn_reflns_theta_full        25.94
_diffrn_reflns_theta_max         25.94
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.926
_exptl_absorpt_correction_T_max  0.8612
_exptl_absorpt_correction_T_min  0.6550
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'
_exptl_crystal_colour            Red-Orange
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.153
_refine_diff_density_min         -1.090
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.765
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         4402
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      0.764
_refine_ls_R_factor_all          0.1265
_refine_ls_R_factor_gt           0.0583
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0002P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.1088
_reflns_number_gt                2424
_reflns_number_total             4402
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b610659e.txt
_cod_data_source_block           ptp22
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4376.2(6)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7007806
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.5000 0.0000 0.0000 0.0204(2) Uani 1 4 d S . .
S1 S 0.51392(11) -0.10241(16) 0.32093(16) 0.0374(6) Uani 1 1 d . . .
S2 S 0.59262(10) -0.10238(17) 0.58135(16) 0.0422(6) Uani 1 1 d . . .
P1 P 0.52445(10) -0.11015(14) 0.13015(15) 0.0249(5) Uani 1 1 d . . .
F1 F 0.7853(5) 0.0000 1.2019(7) 0.102(3) Uani 1 2 d S . .
F2 F 0.6855(4) 0.0000 1.0377(8) 0.099(3) Uani 1 2 d S . .
F3 F 0.7808(6) 0.0306(11) 1.0573(10) 0.093(8) Uani 0.50 1 d P . .
F4 F 0.7635(6) -0.1126(12) 1.0831(11) 0.084(4) Uani 0.50 1 d P . .
C1 C 0.5181(3) -0.0473(5) 0.2252(5) 0.0261(18) Uani 1 1 d . . .
C2 C 0.5363(5) 0.0000 0.3982(8) 0.026(3) Uani 1 2 d S . .
C3 C 0.5691(5) 0.0000 0.5054(8) 0.032(3) Uani 1 2 d S . .
C4 C 0.6450(4) -0.0459(7) 0.7075(6) 0.050(3) Uani 1 1 d . . .
C5 C 0.6830(4) -0.1126(8) 0.8027(7) 0.065(3) Uani 1 1 d . . .
H5A H 0.7159 -0.1486 0.8003 0.097 Uiso 1 1 calc R . .
H5B H 0.6505 -0.1551 0.7990 0.097 Uiso 1 1 calc R . .
H5C H 0.7071 -0.0770 0.8701 0.097 Uiso 1 1 calc R . .
C11 C 0.4661(4) -0.2068(6) 0.0899(6) 0.036(2) Uani 1 1 d . . .
C12 C 0.4022(4) -0.1885(8) 0.0605(6) 0.052(3) Uani 1 1 d . . .
H13 H 0.3887 -0.1262 0.0592 0.062 Uiso 1 1 calc R . .
C13 C 0.3577(5) -0.2613(10) 0.0330(8) 0.070(3) Uani 1 1 d . . .
H14 H 0.3139 -0.2497 0.0148 0.084 Uiso 1 1 calc R . .
C14 C 0.3776(7) -0.3504(11) 0.0323(9) 0.091(5) Uani 1 1 d . . .
H15 H 0.3475 -0.4010 0.0140 0.109 Uiso 1 1 calc R . .
C15 C 0.4404(7) -0.3668(8) 0.0577(11) 0.120(6) Uani 1 1 d . . .
H16 H 0.4529 -0.4285 0.0543 0.144 Uiso 1 1 calc R . .
C16 C 0.4850(5) -0.2962(7) 0.0876(8) 0.072(4) Uani 1 1 d . . .
H17 H 0.5290 -0.3084 0.1068 0.086 Uiso 1 1 calc R . .
C21 C 0.6087(4) -0.1585(5) 0.2093(6) 0.0285(18) Uani 1 1 d . . .
C22 C 0.6290(4) -0.2222(6) 0.2924(6) 0.041(2) Uani 1 1 d . . .
H7 H 0.5978 -0.2403 0.3063 0.050 Uiso 1 1 calc R . .
C23 C 0.6940(4) -0.2586(6) 0.3539(6) 0.044(2) Uani 1 1 d . . .
H8 H 0.7073 -0.3018 0.4098 0.053 Uiso 1 1 calc R . .
C24 C 0.7393(5) -0.2330(7) 0.3350(8) 0.060(3) Uani 1 1 d . . .
H9 H 0.7841 -0.2577 0.3783 0.072 Uiso 1 1 calc R . .
C25 C 0.7200(4) -0.1711(8) 0.2529(8) 0.064(3) Uani 1 1 d . . .
H10 H 0.7512 -0.1548 0.2385 0.076 Uiso 1 1 calc R . .
C26 C 0.6555(4) -0.1329(6) 0.1919(6) 0.044(2) Uani 1 1 d . . .
H11 H 0.6432 -0.0887 0.1374 0.053 Uiso 1 1 calc R . .
C1P C 0.155(2) 0.0000 0.209(2) 0.104(15) Uiso 0.50 2 d SPD A 1
H1P1 H 0.1893 0.0288 0.2046 0.157 Uiso 0.25 1 calc PR A 1
H1P2 H 0.1123 0.0354 0.1641 0.157 Uiso 0.25 1 calc PR A 1
H1P3 H 0.1468 -0.0643 0.1823 0.157 Uiso 0.25 1 calc PR A 1
C2P C 0.1791(8) 0.0000 0.3222(10) 0.032(5) Uiso 0.50 2 d SPGD A 1
C3P C 0.2497(7) 0.000(5) 0.3963(14) 0.054(8) Uiso 0.50 2 d SPGD A 1
H3P H 0.2769 0.0000 0.3717 0.065 Uiso 0.50 2 calc SPR A 1
C4P C 0.2804(6) 0.000(4) 0.5063(13) 0.052(8) Uiso 0.50 2 d SPGD A 1
H4P H 0.3286 0.0000 0.5569 0.062 Uiso 0.50 2 calc SPR A 1
C5P C 0.2406(8) 0.000(4) 0.5422(10) 0.067(9) Uiso 0.50 2 d SPGD A 1
H5P H 0.2616 0.0000 0.6173 0.081 Uiso 0.50 2 calc SPR A 1
C6P C 0.1700(8) 0.000(8) 0.4681(14) 0.076(9) Uiso 0.50 2 d SPGD A 1
H6P H 0.1427 0.0000 0.4926 0.091 Uiso 0.50 2 calc SPR A 1
C7P C 0.1393(5) 0.000(6) 0.3581(13) 0.066(8) Uiso 0.50 2 d SPGD A 1
H7P H 0.0910 0.0000 0.3074 0.079 Uiso 0.50 2 calc SPR A 1
C1Q C 0.2876(6) 0.000(4) 0.5488(12) 0.084(11) Uiso 0.50 2 d SPGD A 2
H1Q1 H 0.2937 0.0627 0.5783 0.126 Uiso 0.25 1 calc PR A 2
H1Q2 H 0.3291 -0.0189 0.5580 0.126 Uiso 0.25 1 calc PR A 2
H1Q3 H 0.2785 -0.0439 0.5870 0.126 Uiso 0.25 1 calc PR A 2
C2Q C 0.2305(9) 0.0000 0.4343(16) 0.068(9) Uiso 0.50 2 d SPGD A 2
C3Q C 0.1667(12) 0.0001(7) 0.4121(18) 0.116(14) Uiso 0.50 2 d SPGD A 2
H3Q H 0.1630 0.0000 0.4696 0.139 Uiso 0.50 2 calc SPR A 2
C4Q C 0.1082(9) 0.000(3) 0.306(2) 0.138(17) Uiso 0.50 2 d SPGD A 2
H4Q H 0.0646 0.0004 0.2906 0.166 Uiso 0.50 2 calc SPR A 2
C5Q C 0.1136(11) 0.000(4) 0.2216(16) 0.082(10) Uiso 0.50 2 d SPGD A 2
H5Q H 0.0737 0.0006 0.1490 0.098 Uiso 0.50 2 calc SPR A 2
C6Q C 0.1774(14) 0.000(4) 0.2439(18) 0.110(18) Uiso 0.50 2 d SPGD A 2
H6Q H 0.1811 0.0005 0.1864 0.132 Uiso 0.50 2 calc SPR A 2
C7Q C 0.2358(10) 0.0002(16) 0.350(2) 0.101(13) Uiso 0.50 2 d SPGD A 2
H7Q H 0.2794 0.0001 0.3654 0.121 Uiso 0.50 2 calc SPR A 2
C1S C 0.5139(18) 0.348(2) 0.376(3) 0.064(12) Uiso 0.25 1 d PGD . .
H1S1 H 0.5432 0.3943 0.3760 0.096 Uiso 0.25 1 calc PR . .
H1S2 H 0.4677 0.3525 0.3085 0.096 Uiso 0.25 1 calc PR . .
H1S3 H 0.5320 0.2856 0.3836 0.096 Uiso 0.25 1 calc PR . .
C2S C 0.5120(14) 0.3666(14) 0.4656(14) 0.18(3) Uiso 0.25 1 d PGD . .
C3S C 0.5739(11) 0.3686(15) 0.5680(17) 0.072(13) Uiso 0.25 1 d PG . .
H3S H 0.6151 0.3752 0.5760 0.086 Uiso 0.25 1 calc PR . .
C4S C 0.5755(9) 0.3609(9) 0.6587(13) 0.027(7) Uiso 0.25 1 d PG . .
H4S H 0.6178 0.3623 0.7288 0.033 Uiso 0.25 1 calc PR . .
C5S C 0.5151(9) 0.3513(12) 0.6470(13) 0.034(9) Uiso 0.25 1 d PG . .
H5S H 0.5162 0.3460 0.7090 0.041 Uiso 0.25 1 calc PR . .
C6S C 0.4532(8) 0.3493(15) 0.5446(16) 0.051(10) Uiso 0.25 1 d PG . .
H6S H 0.4120 0.3427 0.5365 0.061 Uiso 0.25 1 calc PR . .
C7S C 0.4516(11) 0.3569(12) 0.4538(12) 0.082(15) Uiso 0.25 1 d PG . .
H7S H 0.4093 0.3555 0.3838 0.099 Uiso 0.25 1 calc PR . .
B1 B 0.7543(10) -0.0231(12) 1.0952(13) 0.039(7) Uani 0.50 1 d PG . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
_geom_angle_publ_flag
P1 Pt1 P1 180.00(10) 6 2_655 ?
P1 Pt1 P1 84.94(10) 6 . ?
P1 Pt1 P1 95.06(10) 2_655 . ?
P1 Pt1 P1 95.06(10) 6 5_655 ?
P1 Pt1 P1 84.94(10) 2_655 5_655 ?
P1 Pt1 P1 180.00(12) . 5_655 ?
C1 S1 C2 92.7(4) . . ?
C3 S2 C4 94.9(4) . . ?
C21 P1 C1 105.4(3) . . ?
C21 P1 C11 106.8(4) . . ?
C1 P1 C11 102.8(4) . . ?
C21 P1 Pt1 116.2(3) . . ?
C1 P1 Pt1 105.3(2) . . ?
C11 P1 Pt1 118.7(2) . . ?
B1 F1 B1 27.7(13) . 6 ?
B1 F2 B1 27.4(14) 6 . ?
F3 F3 B1 84.5(13) 6 6 ?
F3 F3 B1 55.3(10) 6 . ?
B1 F3 B1 29.2(16) 6 . ?
F3 F3 F4 147.8(8) 6 6 ?
B1 F3 F4 63.3(13) 6 6 ?
B1 F3 F4 92.5(13) . 6 ?
B1 F4 F3 48.3(13) . 6 ?
C1 C1 S1 117.0(2) 6 . ?
C1 C1 P1 119.8(2) 6 . ?
S1 C1 P1 123.2(4) . . ?
C3 C2 S1 123.5(3) . . ?
C3 C2 S1 123.5(3) . 6 ?
S1 C2 S1 113.0(5) . 6 ?
C2 C3 S2 122.9(3) . 6 ?
C2 C3 S2 122.9(3) . . ?
S2 C3 S2 114.2(6) 6 . ?
C4 C4 C5 129.0(5) 6 . ?
C4 C4 S2 117.3(3) 6 . ?
C5 C4 S2 113.6(7) . . ?
C16 C11 C12 120.6(9) . . ?
C16 C11 P1 120.9(7) . . ?
C12 C11 P1 118.5(7) . . ?
C11 C12 C13 119.6(11) . . ?
C14 C13 C12 119.2(11) . . ?
C15 C14 C13 120.3(11) . . ?
C16 C15 C14 120.9(13) . . ?
C15 C16 C11 119.3(11) . . ?
C26 C21 C22 118.5(7) . . ?
C26 C21 P1 121.3(6) . . ?
C22 C21 P1 120.3(6) . . ?
C23 C22 C21 120.2(8) . . ?
C24 C23 C22 120.5(9) . . ?
C23 C24 C25 120.1(9) . . ?
C26 C25 C24 120.1(9) . . ?
C25 C26 C21 120.7(8) . . ?
C3P C2P C7P 120.0 . . ?
C3P C2P C1P 113(2) . . ?
C7P C2P C1P 127(2) . . ?
C4P C3P C2P 120.0 . . ?
C3P C4P C5P 120.0 . . ?
C4P C5P C6P 120.0 . . ?
C7P C6P C5P 120.0 . . ?
C6P C7P C2P 120.0 . . ?
C3Q C2Q C7Q 120.0 . . ?
C3Q C2Q C1Q 114.7(17) . . ?
C7Q C2Q C1Q 125.3(17) . . ?
C2Q C3Q C4Q 120.0 . . ?
C5Q C4Q C3Q 120.0 . . ?
C6Q C5Q C4Q 120.0 . . ?
C5Q C6Q C7Q 120.0 . . ?
C6Q C7Q C2Q 120.0 . . ?
C3S C2S C7S 120.0 . . ?
C3S C2S C1S 117(2) . . ?
C7S C2S C1S 121(2) . . ?
C4S C3S C2S 120.0 . . ?
C5S C4S C3S 120.0 . . ?
C4S C5S C6S 120.0 . . ?
C7S C6S C5S 120.0 . . ?
C6S C7S C2S 120.0 . . ?
B1 B1 F3 95.5(14) 6 6 ?
B1 B1 F4 163.9(15) 6 . ?
F3 B1 F4 68.4(16) 6 . ?
B1 B1 F3 55.3(12) 6 . ?
F3 B1 F3 40.3(17) 6 . ?
F4 B1 F3 109(2) . . ?
B1 B1 F1 76.1(8) 6 . ?
F3 B1 F1 125.4(18) 6 . ?
F4 B1 F1 112.3(11) . . ?
F3 B1 F1 108.8(15) . . ?
B1 B1 F2 76.3(8) 6 . ?
F3 B1 F2 123.7(15) 6 . ?
F4 B1 F2 112.3(15) . . ?
F3 B1 F2 107.7(11) . . ?
F1 B1 F2 106.8(16) . . ?
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
Pt1 P1 2.341(2) 6 ?
Pt1 P1 2.341(2) 2_655 ?
Pt1 P1 2.341(2) . ?
Pt1 P1 2.341(2) 5_655 ?
S1 C1 1.741(7) . ?
S1 C2 1.762(6) . ?
S2 C3 1.749(6) . ?
S2 C4 1.764(8) . ?
P1 C21 1.795(8) . ?
P1 C1 1.815(7) . ?
P1 C11 1.815(9) . ?
F1 B1 1.383(19) . ?
F1 B1 1.383(18) 6 ?
F2 B1 1.397(19) 6 ?
F2 B1 1.397(19) . ?
F3 F3 0.88(3) 6 ?
F3 B1 1.12(2) 6 ?
F3 B1 1.35(2) . ?
F3 F4 1.39(2) 6 ?
F4 B1 1.34(2) . ?
F4 F3 1.39(2) 6 ?
C1 C1 1.357(14) 6 ?
C2 C3 1.343(13) . ?
C2 S1 1.762(6) 6 ?
C3 S2 1.749(6) 6 ?
C4 C4 1.317(19) 6 ?
C4 C5 1.519(11) . ?
C11 C16 1.371(12) . ?
C11 C12 1.375(11) . ?
C12 C13 1.380(13) . ?
C13 C14 1.371(16) . ?
C14 C15 1.365(17) . ?
C15 C16 1.355(14) . ?
C21 C26 1.382(11) . ?
C21 C22 1.405(10) . ?
C22 C23 1.380(11) . ?
C23 C24 1.363(12) . ?
C24 C25 1.381(12) . ?
C25 C26 1.380(11) . ?
C1P C2P 1.481(19) . ?
C2P C3P 1.3900 . ?
C2P C7P 1.3900 . ?
C3P C4P 1.3900 . ?
C4P C5P 1.3900 . ?
C5P C6P 1.3900 . ?
C6P C7P 1.3900 . ?
C1Q C2Q 1.458(19) . ?
C2Q C3Q 1.3900 . ?
C2Q C7Q 1.3900 . ?
C3Q C4Q 1.3900 . ?
C4Q C5Q 1.3900 . ?
C5Q C6Q 1.3900 . ?
C6Q C7Q 1.3900 . ?
C1S C2S 1.439(18) . ?
C2S C3S 1.3900 . ?
C2S C7S 1.3900 . ?
C3S C4S 1.3900 . ?
C4S C5S 1.3900 . ?
C5S C6S 1.3900 . ?
C6S C7S 1.3900 . ?
B1 B1 0.66(3) 6 ?
B1 F3 1.12(2) 6 ?
