#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:05:04 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178489 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/00/4060099.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_4060099
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0491950
_journal_year                    2005
_chemical_formula_sum            'C32 H52 Cl0 Cu2 F12 O0.67 P2 Ru2 S6'
_chemical_formula_weight         1258.92
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            24
_cell_length_a                   23.7164(9)
_cell_length_b                   23.7164(9)
_cell_length_c                   49.973(4)
_cell_measurement_reflns_used    3576
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      20.17
_cell_measurement_theta_min      2.28
_cell_volume                     28108(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.2236
_diffrn_reflns_av_sigmaI/netI    0.0986
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            149596
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.81
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    1.938
_exptl_absorpt_correction_T_max  0.7731
_exptl_absorpt_correction_T_min  0.7468
_exptl_absorpt_correction_type   'Sadabs, (Sheldrick 2001)'
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Rectangular Block'
_exptl_crystal_F_000             15104
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     828
_refine_ls_number_reflns         12384
_refine_ls_number_restraints     95
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1548
_refine_ls_R_factor_gt           0.0864
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1704P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2372
_refine_ls_wR_factor_ref         0.2798
_reflns_number_gt                6873
_reflns_number_total             12384
_reflns_threshold_expression     >2sigma(I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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_sg_symbol_H-M      P4/ncc
_cod_database_code               4060099
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y, -x, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'
'-y-1/2, -x-1/2, z-1/2'
'y, x, z-1/2'
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
P6 P 0.7500 0.7500 0.2795(3) 0.059(4) Uani 0.50 4 d SPD . .
F61 F 0.7303(9) 0.7873(5) 0.2590(4) 0.133(18) Uani 0.25 1 d PDU . .
F63 F 0.8042(7) 0.7787(13) 0.2786(5) 0.118(16) Uani 0.25 1 d PDU . .
F62 F 0.7327(10) 0.7890(5) 0.2996(4) 0.065(9) Uani 0.25 1 d PDU . .
Ru1X Ru 0.50190(4) 0.69758(4) 0.24525(2) 0.0385(3) Uani 1 1 d . . .
Ru2 Ru 0.14873(4) 0.95936(4) 0.08921(2) 0.0397(3) Uani 1 1 d . A .
Ru1 Ru 0.01369(4) 0.71189(4) 0.08496(2) 0.0404(3) Uani 1 1 d . A .
Cu1X Cu 0.36268(7) 0.62369(7) 0.22401(3) 0.0467(4) Uani 1 1 d . . .
Cu2 Cu 0.06620(13) 0.84568(13) 0.09393(6) 0.0500(8) Uani 0.55 1 d P A 1
Cu1 Cu 0.13969(13) 0.80727(12) 0.06029(6) 0.0498(8) Uani 0.55 1 d P A 1
C1 C 0.1108(10) 0.6830(8) 0.0440(5) 0.051(6) Uiso 0.55 1 d PD A 1
H1A H 0.0851 0.6536 0.0376 0.062 Uiso 0.55 1 calc PR A 1
H1B H 0.1376 0.6905 0.0295 0.062 Uiso 0.55 1 calc PR A 1
C2 C 0.1449(7) 0.6574(12) 0.0675(4) 0.063(8) Uiso 0.55 1 d PD A 1
H2A H 0.1735 0.6836 0.0743 0.075 Uiso 0.55 1 calc PR A 1
H2B H 0.1627 0.6216 0.0627 0.075 Uiso 0.55 1 calc PR A 1
C3D C 0.1328(6) 0.7403(8) 0.1227(5) 0.054(6) Uiso 0.55 1 d PD A 1
H3D1 H 0.1593 0.7530 0.1090 0.064 Uiso 0.55 1 calc PR A 1
H3D2 H 0.1469 0.7513 0.1404 0.064 Uiso 0.55 1 calc PR A 1
C4D C 0.1226(13) 0.6761(9) 0.1210(4) 0.058(7) Uiso 0.55 1 d PD A 1
H4D1 H 0.1001 0.6651 0.1366 0.070 Uiso 0.55 1 calc PR A 1
H4D2 H 0.1592 0.6573 0.1227 0.070 Uiso 0.55 1 calc PR A 1
C5 C 0.2303(8) 0.8965(10) 0.0480(3) 0.046(6) Uiso 0.55 1 d PD A 1
H5A H 0.2591 0.9240 0.0532 0.056 Uiso 0.55 1 calc PR A 1
H5B H 0.2501 0.8641 0.0402 0.056 Uiso 0.55 1 calc PR A 1
C6 C 0.1940(13) 0.9230(9) 0.0261(4) 0.071(10) Uiso 0.55 1 d PD A 1
H6A H 0.1650 0.8969 0.0197 0.085 Uiso 0.55 1 calc PR A 1
H6B H 0.2169 0.9357 0.0109 0.085 Uiso 0.55 1 calc PR A 1
C7 C 0.0613(11) 0.9206(10) 0.0388(2) 0.058(7) Uiso 0.55 1 d PD A 1
H7A H 0.0752 0.8830 0.0340 0.069 Uiso 0.55 1 calc PR A 1
H7B H 0.0230 0.9243 0.0317 0.069 Uiso 0.55 1 calc PR A 1
C8 C 0.1000(7) 0.9660(11) 0.0254(4) 0.048(7) Uiso 0.55 1 d PD A 1
H8A H 0.0781 1.0008 0.0230 0.057 Uiso 0.55 1 calc PR A 1
H8B H 0.1108 0.9526 0.0076 0.057 Uiso 0.55 1 calc PR A 1
Cu1A Cu 0.06251(17) 0.83990(17) 0.05678(8) 0.0568(10) Uani 0.45 1 d P A 2
Cu2A Cu 0.12891(16) 0.81477(16) 0.09576(7) 0.0517(10) Uani 0.45 1 d P A 2
C1D C 0.1382(8) 0.7166(13) 0.0451(8) 0.084(12) Uiso 0.45 1 d PD A 2
H1D1 H 0.1498 0.7124 0.0263 0.101 Uiso 0.45 1 calc PR A 2
H1D2 H 0.1673 0.7363 0.0554 0.101 Uiso 0.45 1 calc PR A 2
C4 C 0.1446(10) 0.673(2) 0.1119(8) 0.12(2) Uiso 0.45 1 d PD A 2
H4A H 0.1638 0.6428 0.1218 0.148 Uiso 0.45 1 calc PR A 2
H4B H 0.1719 0.6961 0.1022 0.148 Uiso 0.45 1 calc PR A 2
C3 C 0.1040(12) 0.7078(10) 0.1296(6) 0.060(9) Uiso 0.45 1 d PD A 2
H3A H 0.1264 0.7223 0.1445 0.072 Uiso 0.45 1 calc PR A 2
H3B H 0.0769 0.6811 0.1372 0.072 Uiso 0.45 1 calc PR A 2
C5D C 0.1997(16) 0.8644(11) 0.0426(2) 0.065(9) Uiso 0.45 1 d PD A 2
H5D1 H 0.2306 0.8390 0.0377 0.078 Uiso 0.45 1 calc PR A 2
H5D2 H 0.1645 0.8507 0.0348 0.078 Uiso 0.45 1 calc PR A 2
C6D C 0.2122(10) 0.9255(8) 0.0343(7) 0.042(7) Uiso 0.45 1 d PD A 2
H6D1 H 0.2153 0.9261 0.0148 0.050 Uiso 0.45 1 calc PR A 2
H6D2 H 0.2495 0.9352 0.0414 0.050 Uiso 0.45 1 calc PR A 2
C7D C 0.0531(11) 0.9725(11) 0.0457(4) 0.052(8) Uiso 0.45 1 d PD A 2
H7D1 H 0.0181 0.9614 0.0367 0.062 Uiso 0.45 1 calc PR A 2
H7D2 H 0.0466 1.0104 0.0528 0.062 Uiso 0.45 1 calc PR A 2
C2D C 0.1193(19) 0.6602(16) 0.0580(5) 0.082(12) Uiso 0.45 1 d PD A 2
H2D1 H 0.1529 0.6361 0.0576 0.099 Uiso 0.45 1 calc PR A 2
H2D2 H 0.0927 0.6436 0.0452 0.099 Uiso 0.45 1 calc PR A 2
C8D C 0.0835(15) 0.9773(15) 0.0302(7) 0.055(10) Uiso 0.45 1 d P A 2
H8D1 H 0.0749 1.0116 0.0201 0.066 Uiso 0.45 1 calc PR A 2
H8D2 H 0.0807 0.9453 0.0179 0.066 Uiso 0.45 1 calc PR A 2
C9 C -0.0561(6) 0.6960(7) 0.0562(3) 0.060(4) Uani 1 1 d . . .
C10 C -0.0471(6) 0.6466(6) 0.0710(3) 0.052(3) Uani 1 1 d . . .
C11 C -0.0473(5) 0.6478(6) 0.1000(3) 0.049(3) Uani 1 1 d . . .
C12 C -0.0586(5) 0.6989(6) 0.1129(3) 0.050(3) Uani 1 1 d . . .
C13 C -0.0673(6) 0.7497(6) 0.0970(3) 0.056(4) Uani 1 1 d . . .
C14 C -0.0657(6) 0.7478(6) 0.0692(2) 0.053(4) Uani 1 1 d . . .
C15 C -0.0578(10) 0.6912(10) 0.0256(3) 0.116(8) Uani 1 1 d . . .
H15A H -0.0197 0.6912 0.0186 0.174 Uiso 1 1 calc R . .
H15B H -0.0784 0.7229 0.0183 0.174 Uiso 1 1 calc R . .
H15C H -0.0765 0.6563 0.0206 0.174 Uiso 1 1 calc R . .
C16 C -0.0349(7) 0.5896(7) 0.0584(4) 0.077(5) Uani 1 1 d . . .
H16A H -0.0700 0.5717 0.0532 0.116 Uiso 1 1 calc R . .
H16B H -0.0153 0.5658 0.0712 0.116 Uiso 1 1 calc R . .
H16C H -0.0115 0.5948 0.0426 0.116 Uiso 1 1 calc R . .
C17 C -0.0382(7) 0.5950(7) 0.1160(3) 0.077(5) Uani 1 1 d . . .
H17A H -0.0192 0.5671 0.1050 0.116 Uiso 1 1 calc R . .
H17B H -0.0743 0.5802 0.1218 0.116 Uiso 1 1 calc R . .
H17C H -0.0151 0.6035 0.1315 0.116 Uiso 1 1 calc R . .
C18 C -0.0608(7) 0.7013(8) 0.1431(3) 0.080(5) Uani 1 1 d . . .
H18A H -0.0938 0.6811 0.1494 0.120 Uiso 1 1 calc R . .
H18B H -0.0630 0.7404 0.1489 0.120 Uiso 1 1 calc R . .
H18C H -0.0271 0.6841 0.1505 0.120 Uiso 1 1 calc R . .
C19 C -0.0809(7) 0.8049(7) 0.1122(4) 0.080(5) Uani 1 1 d . . .
H19A H -0.0874 0.8350 0.0995 0.121 Uiso 1 1 calc R . .
H19B H -0.0494 0.8147 0.1237 0.121 Uiso 1 1 calc R . .
H19C H -0.1144 0.7994 0.1231 0.121 Uiso 1 1 calc R . .
C20 C -0.0753(9) 0.7999(8) 0.0530(4) 0.100(6) Uani 1 1 d . . .
H20A H -0.0393 0.8165 0.0482 0.150 Uiso 1 1 calc R . .
H20B H -0.0970 0.8268 0.0634 0.150 Uiso 1 1 calc R . .
H20C H -0.0959 0.7903 0.0368 0.150 Uiso 1 1 calc R . .
C21 C 0.1693(7) 0.9506(6) 0.1323(3) 0.060(4) Uani 1 1 d . . .
C22 C 0.1134(6) 0.9743(6) 0.1295(3) 0.051(4) Uani 1 1 d . . .
C23 C 0.1061(6) 1.0252(7) 0.1146(3) 0.061(4) Uani 1 1 d . . .
C24 C 0.1509(7) 1.0491(6) 0.1013(3) 0.063(4) Uani 1 1 d . . .
C25 C 0.2069(7) 1.0269(7) 0.1034(3) 0.066(4) Uani 1 1 d . . .
C26 C 0.2158(6) 0.9785(7) 0.1196(4) 0.068(5) Uani 1 1 d . . .
C27 C 0.1778(8) 0.8988(7) 0.1493(3) 0.079(5) Uani 1 1 d . . .
H27A H 0.1641 0.8659 0.1398 0.119 Uiso 1 1 calc R . .
H27B H 0.1572 0.9030 0.1659 0.119 Uiso 1 1 calc R . .
H27C H 0.2177 0.8943 0.1531 0.119 Uiso 1 1 calc R . .
C28 C 0.0654(7) 0.9477(8) 0.1433(3) 0.084(6) Uani 1 1 d . . .
H28A H 0.0734 0.9081 0.1462 0.126 Uiso 1 1 calc R . .
H28B H 0.0318 0.9514 0.1324 0.126 Uiso 1 1 calc R . .
H28C H 0.0594 0.9661 0.1604 0.126 Uiso 1 1 calc R . .
C29 C 0.0465(7) 1.0492(8) 0.1126(3) 0.082(5) Uani 1 1 d . . .
H29A H 0.0468 1.0822 0.1011 0.123 Uiso 1 1 calc R . .
H29B H 0.0333 1.0596 0.1303 0.123 Uiso 1 1 calc R . .
H29C H 0.0216 1.0209 0.1051 0.123 Uiso 1 1 calc R . .
C30 C 0.1427(10) 1.1010(7) 0.0834(4) 0.117(8) Uani 1 1 d . . .
H30A H 0.1625 1.0954 0.0666 0.175 Uiso 1 1 calc R . .
H30B H 0.1577 1.1341 0.0923 0.175 Uiso 1 1 calc R . .
H30C H 0.1029 1.1063 0.0799 0.175 Uiso 1 1 calc R . .
C31 C 0.2542(8) 1.0543(9) 0.0882(5) 0.149(12) Uani 1 1 d . . .
H31A H 0.2898 1.0374 0.0934 0.223 Uiso 1 1 calc R . .
H31B H 0.2550 1.0943 0.0921 0.223 Uiso 1 1 calc R . .
H31C H 0.2484 1.0489 0.0691 0.223 Uiso 1 1 calc R . .
C32 C 0.2742(7) 0.9529(8) 0.1237(4) 0.102(7) Uani 1 1 d . . .
H32A H 0.2953 0.9549 0.1071 0.153 Uiso 1 1 calc R . .
H32B H 0.2704 0.9138 0.1291 0.153 Uiso 1 1 calc R . .
H32C H 0.2940 0.9737 0.1375 0.153 Uiso 1 1 calc R . .
C4X C 0.3842(6) 0.7683(6) 0.2574(3) 0.066(4) Uani 1 1 d . . .
H4X1 H 0.3613 0.7515 0.2432 0.079 Uiso 1 1 calc R . .
H4X2 H 0.3586 0.7862 0.2703 0.079 Uiso 1 1 calc R . .
C1X C 0.4225(7) 0.8115(6) 0.2458(3) 0.068(4) Uani 1 1 d . . .
H1X1 H 0.4425 0.8310 0.2603 0.081 Uiso 1 1 calc R . .
H1X2 H 0.4003 0.8394 0.2360 0.081 Uiso 1 1 calc R . .
C2X C 0.4425(7) 0.6999(7) 0.1865(3) 0.066(4) Uani 1 1 d . . .
H2X1 H 0.4792 0.7029 0.1776 0.079 Uiso 1 1 calc R . .
H2X2 H 0.4149 0.6871 0.1733 0.079 Uiso 1 1 calc R . .
C3X C 0.4259(8) 0.7555(7) 0.1964(3) 0.073(5) Uani 1 1 d . . .
H3X1 H 0.3871 0.7540 0.2030 0.088 Uiso 1 1 calc R . .
H3X2 H 0.4272 0.7828 0.1816 0.088 Uiso 1 1 calc R . .
C9X C 0.5599(6) 0.7042(7) 0.2805(3) 0.059(4) Uani 1 1 d . . .
C10X C 0.5805(6) 0.7400(6) 0.2597(3) 0.052(4) Uani 1 1 d . . .
C11X C 0.5906(6) 0.7152(6) 0.2347(3) 0.061(4) Uani 1 1 d . . .
C12X C 0.5800(5) 0.6579(6) 0.2296(3) 0.057(4) Uani 1 1 d . . .
C13X C 0.5584(5) 0.6236(6) 0.2509(3) 0.057(4) Uani 1 1 d . . .
C14X C 0.5468(5) 0.6469(6) 0.2761(3) 0.050(3) Uani 1 1 d . . .
C15X C 0.5465(8) 0.7289(9) 0.3084(3) 0.096(7) Uani 1 1 d . . .
H15D H 0.5805 0.7451 0.3160 0.144 Uiso 1 1 calc R . .
H15E H 0.5328 0.6992 0.3200 0.144 Uiso 1 1 calc R . .
H15F H 0.5179 0.7579 0.3067 0.144 Uiso 1 1 calc R . .
C16X C 0.5884(6) 0.8000(7) 0.2646(4) 0.081(5) Uani 1 1 d . . .
H16D H 0.5757 0.8091 0.2825 0.121 Uiso 1 1 calc R . .
H16E H 0.5667 0.8215 0.2517 0.121 Uiso 1 1 calc R . .
H16F H 0.6280 0.8094 0.2628 0.121 Uiso 1 1 calc R . .
C17X C 0.6157(7) 0.7519(8) 0.2119(3) 0.084(5) Uani 1 1 d . . .
H17D H 0.6538 0.7631 0.2166 0.126 Uiso 1 1 calc R . .
H17E H 0.5926 0.7852 0.2094 0.126 Uiso 1 1 calc R . .
H17F H 0.6164 0.7302 0.1954 0.126 Uiso 1 1 calc R . .
C18X C 0.5924(7) 0.6321(9) 0.2019(4) 0.102(7) Uani 1 1 d . . .
H18D H 0.5975 0.6621 0.1889 0.153 Uiso 1 1 calc R . .
H18E H 0.5610 0.6085 0.1965 0.153 Uiso 1 1 calc R . .
H18F H 0.6264 0.6096 0.2028 0.153 Uiso 1 1 calc R . .
C19X C 0.5475(7) 0.5631(7) 0.2457(4) 0.082(5) Uani 1 1 d . . .
H19D H 0.5252 0.5592 0.2295 0.123 Uiso 1 1 calc R . .
H19E H 0.5273 0.5468 0.2607 0.123 Uiso 1 1 calc R . .
H19F H 0.5831 0.5435 0.2434 0.123 Uiso 1 1 calc R . .
C20X C 0.5238(7) 0.6126(8) 0.2994(4) 0.087(6) Uani 1 1 d . . .
H20D H 0.5065 0.6377 0.3123 0.131 Uiso 1 1 calc R . .
H20E H 0.5543 0.5921 0.3079 0.131 Uiso 1 1 calc R . .
H20F H 0.4958 0.5862 0.2928 0.131 Uiso 1 1 calc R . .
S2X S 0.44735(13) 0.64785(14) 0.21335(6) 0.0442(8) Uani 1 1 d . . .
S1X S 0.42409(15) 0.71434(14) 0.27387(7) 0.0475(8) Uani 1 1 d . . .
S3X S 0.47324(14) 0.77885(14) 0.22341(7) 0.0477(8) Uani 1 1 d . . .
S5 S 0.05889(14) 0.92655(15) 0.07493(7) 0.0468(8) Uani 1 1 d D . .
S4 S 0.19404(14) 0.87242(14) 0.07856(8) 0.0508(9) Uani 1 1 d D . .
S6 S 0.16330(19) 0.98230(16) 0.04407(8) 0.0640(11) Uani 1 1 d D . .
S2 S 0.06263(16) 0.76754(15) 0.11679(7) 0.0533(9) Uani 1 1 d D . .
S1 S 0.0687(2) 0.74745(16) 0.04876(8) 0.0718(13) Uani 1 1 d D . .
S3 S 0.08755(18) 0.64766(18) 0.09114(12) 0.0890(16) Uani 1 1 d D . .
P1 P 0.4185(2) 0.93962(18) 0.18293(9) 0.0682(12) Uani 1 1 d . . .
P2 P 0.7500 0.7500 0.14971(19) 0.091(3) Uani 1 4 d SDU . .
P3 P 0.2500 0.7500 0.1853(2) 0.100(3) Uani 1 2 d S . .
P5 P 0.2500 0.7500 0.0000 0.075(5) Uani 0.50 4 d SPDU . .
F11 F 0.4718(6) 0.9771(5) 0.1792(3) 0.130(5) Uani 1 1 d . . .
F12 F 0.4071(6) 0.9392(5) 0.1518(2) 0.116(4) Uani 1 1 d . . .
F13 F 0.4562(5) 0.8870(4) 0.1782(3) 0.116(4) Uani 1 1 d . . .
F14 F 0.3667(5) 0.8992(6) 0.1877(3) 0.133(5) Uani 1 1 d . . .
F15 F 0.4313(6) 0.9370(7) 0.2138(2) 0.147(6) Uani 1 1 d . . .
F16 F 0.3812(7) 0.9922(7) 0.1877(4) 0.181(7) Uani 1 1 d . . .
F21 F 0.7500 0.7500 0.1840(7) 0.232(5) Uani 1 4 d SDU . .
F22 F 0.7046(15) 0.8013(14) 0.14971(19) 0.357(16) Uani 1 1 d DU . .
F23 F 0.7500 0.7500 0.1154(7) 1.118(6) Uani 1 4 d SDU . .
F31 F 0.2088(6) 0.6980(6) 0.1841(3) 0.147(5) Uani 1 1 d . . .
F32 F 0.2500 0.7500 0.1528(3) 0.142(8) Uani 1 2 d S . .
F33 F 0.2001(6) 0.7944(6) 0.1858(4) 0.161(6) Uani 1 1 d . . .
F34 F 0.2500 0.7500 0.2150(3) 0.103(5) Uani 1 2 d S . .
F51 F 0.1912(5) 0.7818(5) -0.0001(3) 0.054(4) Uani 0.50 1 d PDU . .
F52 F 0.2500 0.7500 0.0317(3) 0.079(7) Uani 0.50 2 d SPDU . .
O2W O 0.1221(9) 0.1539(7) 0.1543(3) 0.162(7) Uani 1 1 d . . .
P4 P -0.0019(2) 0.8685(2) -0.02448(12) 0.0868(15) Uani 1 1 d . . .
F41 F 0.0585(6) 0.8485(6) -0.0125(3) 0.141(5) Uani 1 1 d . . .
F42 F 0.0239(6) 0.9283(5) -0.0240(3) 0.126(4) Uani 1 1 d . . .
F43 F 0.0202(6) 0.8559(6) -0.0530(2) 0.138(5) Uani 1 1 d . . .
F44 F -0.0244(7) 0.8070(5) -0.0230(3) 0.156(6) Uani 1 1 d . . .
F45 F -0.0557(8) 0.8895(9) -0.0360(7) 0.294(15) Uani 1 1 d . . .
F46 F -0.0263(9) 0.8793(7) 0.0050(4) 0.232(12) Uani 1 1 d . . .
