Crystallography Open Database

Information card for entry 8102338

Preview

Coordinates	8102338.cif

Structure parameters

Formula	C7 H11 Cl3 N2 Pt
Calculated formula	C7 H11 Cl3 N2 Pt
SMILES	[Pt]1(Cl)(Cl)(Cl)[CH](C[n+]2cn(cc2)C)=[CH2]1
Title of publication	Crystal structure of h2-1-allyl-3-methylimidazolium trichloroplatinate(II), [C7H11N2][PtCl3]
Authors of publication	Gino Bentivoglio; Klaus Wurst; Gerhard Laus; Gerhard Nauer; Herwig Schottenberger
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	441
a	7.6873 ± 0.0002 Å
b	11.9159 ± 0.0003 Å
c	12.1398 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1112.02 ± 0.05 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0183
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0447
Weighted residual factors for all reflections included in the refinement	0.0447
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102338.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102338.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102338.cif
13077	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102338 via cif-deposit CGI script.	8102338.cif