#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/05/4060548.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_4060548
loop_
_publ_author_name
'Victorio Cadierno'
'Josefina Díez'
'Joaquín García-Álvarez'
'José Gimeno'
_publ_section_title
;
 Iminophosphorane-based nucleophilic ruthenium(II) carbene complexes:
 An unusual C-C coupling and C-H activation by the addition of alkynes
 to the Ru=C bond
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0501273
_journal_year                    2005
_chemical_formula_sum            'C65 H57 Cl3 P2 Pt'
_chemical_formula_weight         1201.49
_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                96.168(4)
_cell_angle_beta                 102.756(4)
_cell_angle_gamma                104.817(4)
_cell_formula_units_Z            1
_cell_length_a                   9.0753(6)
_cell_length_b                   11.5861(8)
_cell_length_c                   14.3546(11)
_cell_measurement_temperature    133(2)
_cell_volume                     1401.48(17)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.424
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (13 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4060548
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
Pt Pt 0.0000 0.0000 0.0000 0.01826(4) Uani 1 2 d S . .
P P 0.01068(6) 0.20029(5) 0.00063(4) 0.01821(10) Uani 1 1 d . . .
C1 C 0.1688(3) 0.0356(2) 0.12378(17) 0.0225(4) Uani 1 1 d U . .
C2 C 0.2639(3) 0.0572(2) 0.20214(17) 0.0236(4) Uani 1 1 d U . .
C3 C 0.3675(3) 0.0915(2) 0.29842(16) 0.0235(4) Uani 1 1 d DU . .
C4 C 0.3175(3) 0.1483(2) 0.37247(17) 0.0266(4) Uani 1 1 d DU . .
C5 C 0.4164(3) 0.1825(3) 0.46660(18) 0.0313(5) Uani 1 1 d DU . .
C6 C 0.5631(3) 0.1585(2) 0.48585(18) 0.0310(5) Uani 1 1 d DU . .
C7 C 0.6137(3) 0.1017(3) 0.41253(19) 0.0325(5) Uani 1 1 d DU . .
C8 C 0.5151(3) 0.0677(2) 0.31814(18) 0.0300(5) Uani 1 1 d DU . .
C9 C 0.1583(3) 0.1707(3) 0.3503(2) 0.0368(6) Uani 1 1 d U . .
H9A H 0.0868 0.1144 0.3781 0.044 Uiso 1 1 calc R . .
H9B H 0.1154 0.1581 0.2799 0.044 Uiso 1 1 calc R . .
H9C H 0.1690 0.2542 0.3785 0.044 Uiso 1 1 calc R . .
C10 C 0.3657(4) 0.2455(4) 0.5464(2) 0.0553(9) Uani 1 1 d U . .
H10A H 0.3775 0.3303 0.5391 0.066 Uiso 1 1 calc R . .
H10B H 0.4317 0.2423 0.6095 0.066 Uiso 1 1 calc R . .
H10C H 0.2551 0.2048 0.5423 0.066 Uiso 1 1 calc R . .
C11 C 0.6642(4) 0.1906(3) 0.5827(2) 0.0397(6) Uani 1 1 d U . .
C12 C 0.7482(5) 0.2159(4) 0.6626(2) 0.0540(9) Uani 1 1 d U . .
H12 H 0.809(6) 0.231(4) 0.726(3) 0.075(14) Uiso 1 1 d . . .
C13 C 0.7726(4) 0.0786(4) 0.4366(2) 0.0521(9) Uani 1 1 d U . .
H13A H 0.7668 0.0018 0.3979 0.062 Uiso 1 1 calc R . .
H13B H 0.8035 0.0742 0.5057 0.062 Uiso 1 1 calc R . .
H13C H 0.8510 0.1448 0.4220 0.062 Uiso 1 1 calc R . .
C14 C 0.5636(4) 0.0035(3) 0.2385(2) 0.0461(8) Uani 1 1 d U . .
H14A H 0.6565 0.0580 0.2259 0.055 Uiso 1 1 calc R . .
H14B H 0.4768 -0.0203 0.1794 0.055 Uiso 1 1 calc R . .
H14C H 0.5892 -0.0689 0.2582 0.055 Uiso 1 1 calc R . .
C21 C -0.1837(3) 0.22363(19) -0.02031(16) 0.0207(4) Uani 1 1 d DU . .
C22 C -0.2253(3) 0.3077(2) -0.07570(17) 0.0243(4) Uani 1 1 d DU . .
H22 H -0.1522 0.3529 -0.1061 0.029 Uiso 1 1 calc R . .
C23 C -0.3736(3) 0.3256(2) -0.08646(19) 0.0300(5) Uani 1 1 d DU . .
H23 H -0.4023 0.3820 -0.1249 0.036 Uiso 1 1 calc R . .
C24 C -0.4797(3) 0.2607(2) -0.0409(2) 0.0319(5) Uani 1 1 d DU . .
H24 H -0.5804 0.2738 -0.0477 0.038 Uiso 1 1 calc R . .
C25 C -0.4392(3) 0.1773(2) 0.0141(2) 0.0311(5) Uani 1 1 d DU . .
H25 H -0.5119 0.1334 0.0453 0.037 Uiso 1 1 calc R . .
C26 C -0.2917(3) 0.1577(2) 0.02388(19) 0.0280(5) Uani 1 1 d DU . .
H26 H -0.2648 0.0993 0.0607 0.034 Uiso 1 1 calc R . .
C31 C 0.0986(2) 0.2626(2) -0.09270(16) 0.0209(4) Uani 1 1 d DU . .
C32 C 0.1700(3) 0.3867(2) -0.08242(19) 0.0278(5) Uani 1 1 d DU . .
H32 H 0.1712 0.4399 -0.0269 0.033 Uiso 1 1 calc R . .
C33 C 0.2393(3) 0.4333(2) -0.1528(2) 0.0325(5) Uani 1 1 d DU . .
H33 H 0.2887 0.5178 -0.1451 0.039 Uiso 1 1 calc R . .
C34 C 0.2361(3) 0.3556(3) -0.2346(2) 0.0350(6) Uani 1 1 d DU . .
H34 H 0.2829 0.3871 -0.2830 0.042 Uiso 1 1 calc R . .
C35 C 0.1649(3) 0.2326(3) -0.24543(19) 0.0335(5) Uani 1 1 d DU . .
H35 H 0.1621 0.1800 -0.3017 0.040 Uiso 1 1 calc R . .
C36 C 0.0973(3) 0.1852(2) -0.17454(17) 0.0270(5) Uani 1 1 d DU . .
H36 H 0.0505 0.1004 -0.1819 0.032 Uiso 1 1 calc R . .
C41 C 0.1239(3) 0.30879(19) 0.11046(16) 0.0221(4) Uani 1 1 d DU . .
C42 C 0.0554(3) 0.3806(2) 0.16142(18) 0.0300(5) Uani 1 1 d DU . .
H42 H -0.0535 0.3741 0.1389 0.036 Uiso 1 1 calc R . .
C43 C 0.1467(4) 0.4618(3) 0.2453(2) 0.0412(6) Uani 1 1 d DU . .
H43 H 0.1000 0.5111 0.2794 0.049 Uiso 1 1 calc R . .
C44 C 0.3043(4) 0.4710(3) 0.2790(2) 0.0423(7) Uani 1 1 d DU . .
H44 H 0.3658 0.5263 0.3365 0.051 Uiso 1 1 calc R . .
C45 C 0.3732(3) 0.4001(3) 0.22935(19) 0.0352(6) Uani 1 1 d DU . .
H45 H 0.4818 0.4065 0.2530 0.042 Uiso 1 1 calc R . .
C46 C 0.2839(3) 0.3192(2) 0.14475(18) 0.0270(5) Uani 1 1 d DU . .
H46 H 0.3320 0.2712 0.1104 0.032 Uiso 1 1 calc R . .
C99 C 0.1318(13) 0.5981(14) 0.5513(9) 0.123(5) Uiso 0.50 1 d PD A -1
H99 H 0.1620 0.6703 0.5198 0.147 Uiso 0.50 1 calc PR A -1
Cl1 Cl 0.1853(4) 0.6536(3) 0.6708(2) 0.1027(9) Uani 0.50 1 d PD A -1
Cl2 Cl 0.2581(8) 0.5250(6) 0.5407(4) 0.207(3) Uani 0.50 1 d PD A -1
Cl3 Cl -0.0603(4) 0.5272(4) 0.4924(3) 0.1273(13) Uani 0.50 1 d PD A -1
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
Pt C1 1.998(2) 2 ?
Pt C1 1.998(2) . y
Pt P 2.2967(6) . y
Pt P 2.2967(6) 2 ?
P C21 1.817(2) . y
P C41 1.822(2) . y
P C31 1.827(2) . y
C1 C2 1.214(3) . y
C2 C3 1.438(3) . y
C3 C4 1.408(3) . y
C3 C8 1.411(3) . y
C4 C5 1.399(3) . y
C4 C9 1.504(3) . y
C5 C6 1.403(4) . y
C5 C10 1.510(4) . y
C6 C7 1.404(4) . y
C6 C11 1.437(4) . y
C7 C8 1.400(3) . y
C7 C13 1.506(4) . y
C8 C14 1.504(4) . y
C11 C12 1.187(4) . ?
C21 C26 1.394(3) . ?
C21 C22 1.395(3) . ?
C22 C23 1.391(3) . ?
C23 C24 1.390(4) . ?
C24 C25 1.382(4) . ?
C25 C26 1.394(3) . ?
C31 C32 1.396(3) . ?
C31 C36 1.395(3) . ?
C32 C33 1.390(3) . ?
C33 C34 1.391(4) . ?
C34 C35 1.381(4) . ?
C35 C36 1.392(3) . ?
C41 C42 1.396(3) . ?
C41 C46 1.396(3) . ?
C42 C43 1.392(4) . ?
C43 C44 1.377(5) . ?
C44 C45 1.381(4) . ?
C45 C46 1.394(3) . ?
C99 Cl2 1.613(11) . ?
C99 Cl1 1.681(11) . ?
C99 Cl3 1.702(11) . ?
