Crystallography Open Database

Information card for entry 7005812

Preview

Coordinates	7005812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 Cl5 N2 Pt
Calculated formula	C23 H17 Cl5 N2 Pt
SMILES	[Pt]12(Cl)(Cl)([n]3ccccc3c3ccccc13)[n]1ccccc1c1ccccc21.ClC(Cl)Cl
Title of publication	Cyclometallated platinum(II) complexes: oxidation to, and C-H activation by, platinum(IV).
Authors of publication	Newman, Christopher P.; Casey-Green, Katherine; Clarkson, Guy J.; Cave, Gareth W. V.; Errington, W.; Rourke, Jonathan P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	29
Pages of publication	3170 - 3182
a	9.5988 ± 0.0004 Å
b	11.0181 ± 0.0005 Å
c	12.4407 ± 0.0005 Å
α	81.338 ± 0.001°
β	79.253 ± 0.001°
γ	64.686 ± 0.001°
Cell volume	1164.81 ± 0.09 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
179762 (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 7/00/58.	7005812.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005812.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005812.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005812.cif