Crystallography Open Database

Information card for entry 7006310

Preview

Coordinates	7006310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 Cl2 O2 P2 Pt
Calculated formula	C18 H38 Cl2 O2 P2 Pt
SMILES	[Pt]1(Cl)([P](O[C@@H]2C[C@H](O[P]1(C(C)C)C(C)C)CCC2)(C(C)C)C(C)C)Cl
Title of publication	Synthesis and characterisation of PC(sp3)P phosphine and phosphinite platinum(II) complexes. Cyclometallation and simple coordination.
Authors of publication	Olsson, Daniel; Arunachalampillai, Athimoolam; Wendt, Ola F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	46
Pages of publication	5427 - 5433
a	12.8734 ± 0.0008 Å
b	14.8662 ± 0.0009 Å
c	24.0444 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4601.6 ± 0.5 Å³
Cell temperature	150 ± 3 K
Ambient diffraction temperature	150 ± 3 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1444
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.1481
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179767 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/63.	7006310.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006310.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006310.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006310.cif