Crystallography Open Database

Information card for entry 7005814

Preview

Coordinates	7005814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H15.5 Cl F2 N2 O1.25 Pt
Calculated formula	C22 H15 Cl F2 N2 O1.25 Pt
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	9.493 ± 0.006 Å
b	15.559 ± 0.012 Å
c	15.246 ± 0.01 Å
α	90°
β	106.83 ± 0.04°
γ	90°
Cell volume	2155 ± 3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1995
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7005814.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005814.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005814.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005814.cif