#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:28:09 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178512 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/15/4061584.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_4061584
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050392o
_journal_year                    2005
_chemical_formula_sum            'C67 H60 Ge2 P2 Pt2'
_chemical_formula_weight         1462.45
_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                112.2030(10)
_cell_angle_beta                 97.7050(10)
_cell_angle_gamma                102.8630(10)
_cell_formula_units_Z            1
_cell_length_a                   10.0439(2)
_cell_length_b                   12.5191(3)
_cell_length_c                   12.9326(3)
_cell_measurement_temperature    170(2)
_cell_volume                     1424.26(6)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.705
_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_original_sg_symbol_H-M      "'P -1"
_cod_database_code               4061584
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 0.100928(15) 0.103614(13) 0.018333(13) 0.02919(5) Uani 1 1 d . . .
Ge1 Ge 0.03789(4) 0.03789(4) 0.16830(3) 0.03035(9) Uani 1 1 d . . .
H11A H 0.169(8) 0.164(7) 0.180(6) 0.10(2) Uiso 1 1 d . . .
P1 P 0.24563(10) 0.25510(8) -0.00129(8) 0.02710(19) Uani 1 1 d . . .
C1 C 0.4278(4) 0.2815(3) 0.0693(3) 0.0294(8) Uani 1 1 d . . .
C2 C 0.4740(5) 0.1806(4) 0.0540(4) 0.0425(10) Uani 1 1 d . . .
H2 H 0.4109 0.1019 0.0085 0.051 Uiso 1 1 calc R . .
C3 C 0.6106(5) 0.1942(4) 0.1045(5) 0.0495(12) Uani 1 1 d . . .
H3 H 0.6415 0.1249 0.0921 0.059 Uiso 1 1 calc R . .
C4 C 0.7023(5) 0.3080(5) 0.1727(4) 0.0482(11) Uani 1 1 d . . .
H4 H 0.7958 0.3171 0.2083 0.058 Uiso 1 1 calc R . .
C5 C 0.6579(5) 0.4084(4) 0.1891(4) 0.0465(11) Uani 1 1 d . . .
H5 H 0.7209 0.4868 0.2361 0.056 Uiso 1 1 calc R . .
C6 C 0.5213(4) 0.3956(4) 0.1369(4) 0.0384(9) Uani 1 1 d . . .
H6 H 0.4918 0.4653 0.1477 0.046 Uiso 1 1 calc R . .
C7 C 0.2584(4) 0.2497(3) -0.1431(3) 0.0281(7) Uani 1 1 d . . .
C8 C 0.3872(4) 0.2781(4) -0.1716(4) 0.0344(8) Uani 1 1 d . . .
H8 H 0.4727 0.2978 -0.1175 0.041 Uiso 1 1 calc R . .
C9 C 0.3902(5) 0.2775(4) -0.2790(4) 0.0418(10) Uani 1 1 d . . .
H9 H 0.4778 0.2958 -0.2984 0.050 Uiso 1 1 calc R . .
C10 C 0.2670(6) 0.2507(4) -0.3570(4) 0.0471(11) Uani 1 1 d . . .
H10 H 0.2698 0.2521 -0.4296 0.056 Uiso 1 1 calc R . .
C11 C 0.1395(5) 0.2217(4) -0.3304(4) 0.0454(11) Uani 1 1 d . . .
H11 H 0.0545 0.2022 -0.3851 0.054 Uiso 1 1 calc R . .
C12 C 0.1349(5) 0.2212(4) -0.2237(4) 0.0380(9) Uani 1 1 d . . .
H12 H 0.0467 0.2011 -0.2058 0.046 Uiso 1 1 calc R . .
C13 C 0.2060(4) 0.3980(3) 0.0662(3) 0.0312(8) Uani 1 1 d . . .
C14 C 0.2470(5) 0.4918(4) 0.0334(4) 0.0425(10) Uani 1 1 d . . .
H14 H 0.2965 0.4816 -0.0256 0.051 Uiso 1 1 calc R . .
C15 C 0.2170(5) 0.5995(4) 0.0851(5) 0.0529(13) Uani 1 1 d . . .
H15 H 0.2460 0.6629 0.0620 0.063 Uiso 1 1 calc R . .
C16 C 0.1446(6) 0.6144(4) 0.1707(5) 0.0586(15) Uani 1 1 d . . .
H16 H 0.1255 0.6889 0.2079 0.070 Uiso 1 1 calc R . .
C17 C 0.1000(6) 0.5215(5) 0.2022(5) 0.0626(15) Uani 1 1 d . . .
H17 H 0.0487 0.5317 0.2600 0.075 Uiso 1 1 calc R . .
C18 C 0.1294(5) 0.4129(4) 0.1502(4) 0.0468(11) Uani 1 1 d . . .
H18 H 0.0973 0.3490 0.1718 0.056 Uiso 1 1 calc R . .
C19 C -0.0387(5) 0.1390(4) 0.2872(4) 0.0356(9) Uani 1 1 d . . .
C20 C 0.0441(6) 0.2532(5) 0.3666(4) 0.0483(11) Uani 1 1 d . . .
H20 H 0.1388 0.2816 0.3636 0.058 Uiso 1 1 calc R . .
C21 C -0.0095(7) 0.3272(5) 0.4510(5) 0.0618(15) Uani 1 1 d . . .
H21 H 0.0483 0.4053 0.5050 0.074 Uiso 1 1 calc R . .
C22 C -0.1471(7) 0.2857(6) 0.4550(5) 0.0649(16) Uani 1 1 d . . .
H22 H -0.1842 0.3357 0.5119 0.078 Uiso 1 1 calc R . .
C23 C -0.2311(6) 0.1724(6) 0.3774(5) 0.0586(14) Uani 1 1 d . . .
H23 H -0.3257 0.1444 0.3807 0.070 Uiso 1 1 calc R . .
C24 C -0.1765(5) 0.0992(4) 0.2938(4) 0.0449(10) Uani 1 1 d . . .
H24 H -0.2345 0.0209 0.2405 0.054 Uiso 1 1 calc R . .
C25 C 0.1854(4) -0.0018(4) 0.2484(4) 0.0352(9) Uani 1 1 d . . .
C26 C 0.1885(5) 0.0016(4) 0.3574(4) 0.0414(10) Uani 1 1 d . . .
H26 H 0.1198 0.0275 0.3963 0.050 Uiso 1 1 calc R . .
C27 C 0.2904(6) -0.0325(5) 0.4101(5) 0.0557(13) Uani 1 1 d . . .
H27 H 0.2905 -0.0310 0.4841 0.067 Uiso 1 1 calc R . .
C28 C 0.3917(6) -0.0686(5) 0.3550(5) 0.0614(16) Uani 1 1 d . . .
H28 H 0.4616 -0.0918 0.3913 0.074 Uiso 1 1 calc R . .
C29 C 0.3919(6) -0.0711(5) 0.2475(5) 0.0584(14) Uani 1 1 d . . .
H29 H 0.4626 -0.0947 0.2102 0.070 Uiso 1 1 calc R . .
C30 C 0.2882(5) -0.0391(4) 0.1943(4) 0.0448(10) Uani 1 1 d . . .
H30 H 0.2873 -0.0427 0.1195 0.054 Uiso 1 1 calc R . .
C1S C 0.4826(10) 0.4349(10) 0.4584(9) 0.049(2) Uani 0.50 1 d P . .
H1S H 0.4723 0.3510 0.4142 0.059 Uiso 0.50 1 d PR . .
C2S C 0.4270(7) 0.4953(8) 0.4177(6) 0.076(2) Uani 1 1 d . . .
H2S H 0.3607 0.4508 0.3442 0.091 Uiso 1 1 d R . .
C3S C 0.4311(16) 0.6144(16) 0.4560(16) 0.084(5) Uani 0.50 1 d P . .
H3S H 0.3818 0.6450 0.4099 0.101 Uiso 0.50 1 d PR . .
C4S C 0.5215(10) 0.6899(8) 0.5808(12) 0.120(4) Uani 1 1 d . . .
H4S H 0.5376 0.7755 0.6211 0.144 Uiso 1 1 d R . .
C5S C 0.5762(14) 0.6278(17) 0.6207(11) 0.087(6) Uani 0.50 1 d P . .
H5S H 0.6321 0.6737 0.6983 0.105 Uiso 0.50 1 d PR . .
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 2.2380(9) . ?
Pt1 Ge1 2.3821(4) 2 ?
Pt1 Ge1 2.4785(4) . ?
Pt1 Pt1 2.7452(3) 2 ?
Pt1 H11A 1.90(7) . ?
Ge1 C25 1.955(4) . ?
Ge1 C19 1.959(4) . ?
Ge1 Pt1 2.3821(4) 2 ?
Ge1 H11A 1.76(7) . ?
P1 C1 1.829(4) . ?
P1 C13 1.831(4) . ?
P1 C7 1.832(4) . ?
C1 C6 1.387(5) . ?
C1 C2 1.395(6) . ?
C2 C3 1.382(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.381(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(6) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.388(6) . ?
C7 C8 1.399(5) . ?
C8 C9 1.390(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.373(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.376(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(6) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.392(6) . ?
C13 C18 1.393(6) . ?
C14 C15 1.382(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.376(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.388(7) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.386(6) . ?
C19 C24 1.389(6) . ?
C20 C21 1.398(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.379(9) . ?
C21 H21 0.9500 . ?
C22 C23 1.376(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.394(7) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.390(6) . ?
C25 C30 1.391(6) . ?
C26 C27 1.386(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.380(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.378(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.387(7) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C1S C5S 1.018(15) 2_666 ?
C1S C2S 1.254(13) . ?
C1S C4S 1.438(14) 2_666 ?
C1S C1S 1.50(2) 2_666 ?
C1S C2S 1.534(13) 2_666 ?
C1S C3S 1.69(2) 2_666 ?
C1S H1S 0.9607 . ?
C2S C3S 1.371(16) . ?
C2S C5S 1.42(2) 2_666 ?
C2S C1S 1.534(13) 2_666 ?
C2S H2S 0.9602 . ?
C3S C4S 1.55(2) . ?
C3S C1S 1.69(2) 2_666 ?
C3S H3S 0.9608 . ?
C4S C5S 1.26(2) . ?
C4S C1S 1.438(14) 2_666 ?
C4S H4S 0.9608 . ?
C5S C1S 1.018(15) 2_666 ?
C5S C2S 1.42(2) 2_666 ?
C5S H5S 0.9602 . ?
