#------------------------------------------------------------------------------
#$Date: 2018-01-29 18:13:51 +0200 (Mon, 29 Jan 2018) $
#$Revision: 205839 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/10/4061002.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_4061002
loop_
_publ_author_name
'Owen, Gareth R.'
'Stahl, Jürgen'
'Hampel, Frank'
'Gladysz, J. A.'
_publ_section_title
;
 Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which
 the sp Carbon Chains Are Shielded by sp3 Carbon Chains
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5889
_journal_page_last               5892
_journal_paper_doi               10.1021/om0493558
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C118 H116 F10 O4 P4 Pt2'
_chemical_formula_weight         2302.17
_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                104.4233(8)
_cell_angle_beta                 98.3223(9)
_cell_angle_gamma                114.8313(8)
_cell_formula_units_Z            1
_cell_length_a                   13.4269(2)
_cell_length_b                   14.8625(3)
_cell_length_c                   14.9832(2)
_cell_measurement_temperature    173(2)
_cell_volume                     2520.08(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.517
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               4061002
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 1.126890(9) 0.791462(8) 0.718321(7) 0.02289(5) Uani 1 1 d . . .
P1 P 1.23247(6) 0.87051(6) 0.62564(5) 0.02386(15) Uani 1 1 d . . .
C1 C 1.2702(3) 0.8758(2) 0.8272(2) 0.0260(6) Uani 1 1 d . . .
P2 P 1.02940(6) 0.71820(6) 0.81831(5) 0.02403(15) Uani 1 1 d . . .
C2 C 1.3585(3) 0.9241(2) 0.8922(2) 0.0290(6) Uani 1 1 d . . .
C3 C 1.4570(3) 0.9773(2) 0.9668(2) 0.0274(6) Uani 1 1 d . . .
C11 C 0.9817(2) 0.7014(2) 0.6027(2) 0.0239(6) Uani 1 1 d . . .
F12 F 0.98676(16) 0.54308(14) 0.59832(13) 0.0330(4) Uani 1 1 d . . .
C12 C 0.9370(3) 0.5933(2) 0.5610(2) 0.0271(6) Uani 1 1 d . . .
F13 F 0.80120(18) 0.42548(15) 0.44657(16) 0.0451(5) Uani 1 1 d . . .
C13 C 0.8420(3) 0.5305(2) 0.4825(2) 0.0317(7) Uani 1 1 d . . .
F14 F 0.69516(19) 0.51674(18) 0.36376(16) 0.0536(6) Uani 1 1 d . . .
C14 C 0.7874(3) 0.5763(3) 0.4413(2) 0.0353(7) Uani 1 1 d . . .
F15 F 0.77395(18) 0.72822(18) 0.43949(15) 0.0463(5) Uani 1 1 d . . .
C15 C 0.8275(3) 0.6833(3) 0.4798(2) 0.0314(7) Uani 1 1 d . . .
F16 F 0.95360(16) 0.84668(14) 0.59511(14) 0.0353(4) Uani 1 1 d . . .
C16 C 0.9215(3) 0.7422(2) 0.5589(2) 0.0270(6) Uani 1 1 d . . .
C31 C 1.2860(3) 1.0127(2) 0.6726(2) 0.0283(6) Uani 1 1 d . . .
C32 C 1.2104(3) 1.0486(3) 0.6967(3) 0.0552(12) Uani 1 1 d . . .
H32A H 1.1335 0.9991 0.6886 0.066 Uiso 1 1 calc R . .
C33 C 1.2452(4) 1.1554(3) 0.7324(4) 0.0595(12) Uani 1 1 d . . .
H33A H 1.1914 1.1782 0.7476 0.071 Uiso 1 1 calc R . .
C34 C 1.3562(3) 1.2296(3) 0.7465(3) 0.0388(8) Uani 1 1 d . . .
C35 C 1.4304(3) 1.1937(3) 0.7236(3) 0.0513(10) Uani 1 1 d . . .
H35A H 1.5075 1.2433 0.7326 0.062 Uiso 1 1 calc R . .
C36 C 1.3965(3) 1.0864(3) 0.6872(3) 0.0465(9) Uani 1 1 d . . .
H36A H 1.4507 1.0641 0.6724 0.056 Uiso 1 1 calc R . .
C37 C 1.3953(4) 1.3464(3) 0.7889(3) 0.0538(10) Uani 1 1 d . . .
H37A H 1.4765 1.3864 0.7936 0.081 Uiso 1 1 calc R . .
H37B H 1.3842 1.3626 0.8531 0.081 Uiso 1 1 calc R . .
H37C H 1.3504 1.3659 0.7474 0.081 Uiso 1 1 calc R . .
C41 C 1.3560(3) 0.8517(2) 0.6152(2) 0.0293(6) Uani 1 1 d . . .
C42 C 1.4110(3) 0.8819(3) 0.5474(3) 0.0457(9) Uani 1 1 d . . .
H42A H 1.3800 0.9070 0.5042 0.055 Uiso 1 1 calc R . .
C43 C 1.5105(4) 0.8759(3) 0.5425(4) 0.0528(11) Uani 1 1 d . . .
H43A H 1.5470 0.8970 0.4960 0.063 Uiso 1 1 calc R . .
C44 C 1.5575(3) 0.8394(3) 0.6042(3) 0.0453(9) Uani 1 1 d . . .
C45 C 1.4996(3) 0.8051(3) 0.6675(3) 0.0465(9) Uani 1 1 d . . .
H45A H 1.5283 0.7764 0.7082 0.056 Uiso 1 1 calc R . .
C46 C 1.4002(3) 0.8111(3) 0.6735(3) 0.0368(7) Uani 1 1 d . . .
H46A H 1.3625 0.7870 0.7183 0.044 Uiso 1 1 calc R . .
C47 C 1.6694(4) 0.8387(4) 0.6012(4) 0.0647(14) Uani 1 1 d . . .
H47A H 1.6903 0.8110 0.6496 0.097 Uiso 1 1 calc R . .
H47B H 1.7296 0.9109 0.6147 0.097 Uiso 1 1 calc R . .
H47C H 1.6608 0.7938 0.5373 0.097 Uiso 1 1 calc R . .
C51 C 1.1546(3) 0.8297(2) 0.5013(2) 0.0268(6) Uani 1 1 d . . .
C52 C 1.1138(3) 0.7244(3) 0.4436(2) 0.0302(7) Uani 1 1 d . . .
H52A H 1.1328 0.6793 0.4689 0.036 Uiso 1 1 calc R . .
C53 C 1.0459(3) 0.6859(3) 0.3500(2) 0.0329(7) Uani 1 1 d . . .
H53A H 1.0179 0.6141 0.3120 0.039 Uiso 1 1 calc R . .
C54 C 1.0182(3) 0.7504(3) 0.3111(2) 0.0358(7) Uani 1 1 d . . .
C55 C 1.0593(3) 0.8546(3) 0.3685(3) 0.0401(8) Uani 1 1 d . . .
H55A H 1.0411 0.8999 0.3428 0.048 Uiso 1 1 calc R . .
C56 C 1.1262(3) 0.8939(3) 0.4624(2) 0.0338(7) Uani 1 1 d . . .
H56A H 1.1529 0.9654 0.5004 0.041 Uiso 1 1 calc R . .
C57 C 0.9458(4) 0.7082(4) 0.2092(3) 0.0544(11) Uani 1 1 d . . .
H57A H 0.9239 0.6333 0.1806 0.082 Uiso 1 1 calc R . .
H57B H 0.9894 0.7477 0.1722 0.082 Uiso 1 1 calc R . .
H57C H 0.8768 0.7161 0.2081 0.082 Uiso 1 1 calc R . .
C61 C 0.8795(3) 0.6222(2) 0.7606(2) 0.0269(6) Uani 1 1 d . . .
C62 C 0.8359(3) 0.5149(3) 0.7436(3) 0.0347(7) Uani 1 1 d . . .
H62A H 0.8832 0.4892 0.7692 0.042 Uiso 1 1 calc R . .
C63 C 0.7244(3) 0.4453(3) 0.6898(3) 0.0428(9) Uani 1 1 d . . .
H63A H 0.6961 0.3721 0.6791 0.051 Uiso 1 1 calc R . .
C64 C 0.6531(3) 0.4787(3) 0.6512(3) 0.0385(8) Uani 1 1 d . . .
C65 C 0.6951(3) 0.5863(3) 0.6700(2) 0.0353(7) Uani 1 1 d . . .
H65A H 0.6464 0.6116 0.6461 0.042 Uiso 1 1 calc R . .
C66 C 0.8072(3) 0.6572(3) 0.7233(2) 0.0307(7) Uani 1 1 d . . .
H66A H 0.8351 0.7304 0.7345 0.037 Uiso 1 1 calc R . .
C67 C 0.5332(3) 0.4030(3) 0.5879(4) 0.0588(12) Uani 1 1 d . . .
H67A H 0.5166 0.3306 0.5820 0.088 Uiso 1 1 calc R . .
H67B H 0.5259 0.4096 0.5241 0.088 Uiso 1 1 calc R . .
H67C H 0.4790 0.4194 0.6164 0.088 Uiso 1 1 calc R . .
C71 C 1.0945(3) 0.6504(2) 0.8695(2) 0.0295(6) Uani 1 1 d . . .
C72 C 1.0765(3) 0.6288(3) 0.9524(3) 0.0372(8) Uani 1 1 d . . .
H72A H 1.0247 0.6451 0.9810 0.045 Uiso 1 1 calc R . .
C73 C 1.1328(3) 0.5839(3) 0.9935(3) 0.0427(8) Uani 1 1 d . . .
H73A H 1.1198 0.5704 1.0506 0.051 Uiso 1 1 calc R . .
C74 C 1.2079(3) 0.5581(3) 0.9534(3) 0.0420(8) Uani 1 1 d . . .
C75 C 1.2226(3) 0.5761(3) 0.8689(3) 0.0445(9) Uani 1 1 d . . .
H75A H 1.2717 0.5565 0.8388 0.053 Uiso 1 1 calc R . .
C76 C 1.1673(3) 0.6221(3) 0.8274(3) 0.0366(7) Uani 1 1 d . . .
H76A H 1.1793 0.6345 0.7697 0.044 Uiso 1 1 calc R . .
C77 C 1.2731(4) 0.5136(4) 1.0025(3) 0.0586(12) Uani 1 1 d . . .
H77A H 1.2514 0.5071 1.0612 0.088 Uiso 1 1 calc R . .
H77B H 1.3554 0.5610 1.0191 0.088 Uiso 1 1 calc R . .
H77C H 1.2545 0.4438 0.9592 0.088 Uiso 1 1 calc R . .
C81 C 1.0244(3) 0.8089(2) 0.9227(2) 0.0285(6) Uani 1 1 d . . .
C82 C 0.9286(3) 0.7788(3) 0.9578(2) 0.0361(7) Uani 1 1 d . . .
H82A H 0.8627 0.7123 0.9242 0.043 Uiso 1 1 calc R . .
C83 C 0.9296(3) 0.8455(3) 1.0411(3) 0.0387(8) Uani 1 1 d . . .
H83A H 0.8641 0.8237 1.0641 0.046 Uiso 1 1 calc R . .
C84 C 1.0232(3) 0.9427(3) 1.0916(2) 0.0356(7) Uani 1 1 d . . .
C85 C 1.1164(3) 0.9725(3) 1.0556(3) 0.0397(8) Uani 1 1 d . . .
H85A H 1.1817 1.0396 1.0889 0.048 Uiso 1 1 calc R . .
C86 C 1.1169(3) 0.9076(3) 0.9725(2) 0.0354(7) Uani 1 1 d . . .
H86A H 1.1820 0.9309 0.9491 0.043 Uiso 1 1 calc R . .
C87 C 1.0253(4) 1.0136(3) 1.1837(3) 0.0484(9) Uani 1 1 d . . .
H87A H 0.9525 0.9795 1.1983 0.073 Uiso 1 1 calc R . .
H87B H 1.0365 1.0808 1.1769 0.073 Uiso 1 1 calc R . .
H87C H 1.0881 1.0266 1.2361 0.073 Uiso 1 1 calc R . .
O100 O 0.6739(3) 0.2383(3) -0.1739(3) 0.0614(8) Uani 1 1 d . . .
C101 C 0.7351(6) 0.2089(5) -0.2310(4) 0.0812(16) Uani 1 1 d . . .
H10A H 0.8099 0.2707 -0.2198 0.097 Uiso 1 1 calc R . .
H10B H 0.6923 0.1824 -0.2996 0.097 Uiso 1 1 calc R . .
C102 C 0.7530(5) 0.1249(4) -0.2066(5) 0.0750(15) Uani 1 1 d . . .
H10C H 0.8283 0.1549 -0.1593 0.090 Uiso 1 1 calc R . .
H10D H 0.7476 0.0716 -0.2646 0.090 Uiso 1 1 calc R . .
C103 C 0.6568(4) 0.0778(4) -0.1643(4) 0.0643(12) Uani 1 1 d . . .
H10E H 0.5878 0.0191 -0.2146 0.077 Uiso 1 1 calc R . .
H10F H 0.6794 0.0513 -0.1147 0.077 Uiso 1 1 calc R . .
C104 C 0.6363(4) 0.1672(3) -0.1215(3) 0.0568(11) Uani 1 1 d . . .
H10G H 0.5539 0.1417 -0.1271 0.068 Uiso 1 1 calc R . .
H10H H 0.6798 0.2034 -0.0527 0.068 Uiso 1 1 calc R . .
O200 O 0.6437(5) -0.2873(4) 0.0043(4) 0.1133(16) Uani 1 1 d . . .
C201 C 0.5978(9) -0.2163(7) 0.0083(5) 0.129(3) Uani 1 1 d . . .
H20A H 0.5347 -0.2364 0.0386 0.154 Uiso 1 1 calc R . .
H20B H 0.6580 -0.1440 0.0489 0.154 Uiso 1 1 calc R . .
C202 C 0.5572(7) -0.2164(5) -0.0818(4) 0.097(2) Uani 1 1 d . . .
H20C H 0.6007 -0.1466 -0.0879 0.116 Uiso 1 1 calc R . .
H20D H 0.4750 -0.2361 -0.0963 0.116 Uiso 1 1 calc R . .
C203 C 0.5769(10) -0.2996(9) -0.1468(5) 0.171(5) Uani 1 1 d . . .
H20E H 0.5115 -0.3440 -0.2055 0.205 Uiso 1 1 calc R . .
H20F H 0.6477 -0.2666 -0.1657 0.205 Uiso 1 1 calc R . .
C204 C 0.5871(6) -0.3606(5) -0.0892(6) 0.121(3) Uani 1 1 d . . .
H20G H 0.5107 -0.4151 -0.0923 0.145 Uiso 1 1 calc R . .
H20H H 0.6320 -0.3957 -0.1110 0.145 Uiso 1 1 calc R . .
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 C1 1.995(3) . ?
Pt1 C11 2.066(3) . ?
Pt1 P1 2.3025(8) . ?
Pt1 P2 2.3079(8) . ?
Pt1 Pt1 10.3610(3) 2_877 ?
P1 C51 1.809(3) . ?
P1 C41 1.816(3) . ?
P1 C31 1.821(3) . ?
C1 C2 1.213(4) . ?
P2 C71 1.817(3) . ?
P2 C61 1.818(3) . ?
P2 C81 1.823(3) . ?
C2 C3 1.371(4) . ?
C3 C3 1.207(6) 2_877 ?
C11 C16 1.382(4) . ?
C11 C12 1.383(4) . ?
F12 C12 1.354(3) . ?
C12 C13 1.378(4) . ?
F13 C13 1.343(4) . ?
C13 C14 1.372(5) . ?
F14 C14 1.348(4) . ?
C14 C15 1.372(5) . ?
F15 C15 1.344(4) . ?
C15 C16 1.373(4) . ?
F16 C16 1.357(3) . ?
C31 C36 1.368(5) . ?
C31 C32 1.382(5) . ?
C32 C33 1.381(5) . ?
C33 C34 1.377(6) . ?
C34 C35 1.360(6) . ?
C34 C37 1.510(5) . ?
C35 C36 1.389(5) . ?
C41 C46 1.376(5) . ?
C41 C42 1.394(5) . ?
C42 C43 1.388(5) . ?
C43 C44 1.383(6) . ?
C44 C45 1.372(6) . ?
C44 C47 1.515(5) . ?
C45 C46 1.388(5) . ?
C51 C56 1.383(4) . ?
C51 C52 1.401(4) . ?
C52 C53 1.385(5) . ?
C53 C54 1.382(5) . ?
C54 C55 1.387(5) . ?
C54 C57 1.502(5) . ?
C55 C56 1.382(5) . ?
C61 C62 1.387(4) . ?
C61 C66 1.392(4) . ?
C62 C63 1.376(5) . ?
C63 C64 1.371(5) . ?
C64 C65 1.389(5) . ?
C64 C67 1.504(5) . ?
C65 C66 1.383(5) . ?
C71 C76 1.385(5) . ?
C71 C72 1.388(5) . ?
C72 C73 1.374(5) . ?
C73 C74 1.383(6) . ?
C74 C75 1.382(6) . ?
C74 C77 1.513(5) . ?
C75 C76 1.382(5) . ?
C81 C86 1.381(5) . ?
C81 C82 1.400(5) . ?
C82 C83 1.381(5) . ?
C83 C84 1.376(5) . ?
C84 C85 1.379(5) . ?
C84 C87 1.502(5) . ?
C85 C86 1.375(5) . ?
O100 C101 1.384(6) . ?
O100 C104 1.438(5) . ?
C101 C102 1.485(8) . ?
C102 C103 1.502(7) . ?
C103 C104 1.479(7) . ?
O200 C204 1.401(8) . ?
O200 C201 1.423(7) . ?
C201 C202 1.380(8) . ?
C202 C203 1.514(8) . ?
C203 C204 1.431(11) . ?
