Crystallography Open Database

Information card for entry 8103303

Preview

Coordinates	8103303.cif

Structure parameters

Chemical name	3-Phenylpyridinium pentachloro(3-phenylpyridine-κ<i>N</i>)platinate(IV) - water (1:1)
Formula	C22 H21 Cl5 N2 O Pt
Calculated formula	C22 H21 Cl5 N2 O Pt
SMILES	[Pt](Cl)(Cl)(Cl)(Cl)(Cl)[n]1cc(ccc1)c1ccccc1.[nH+]1cc(ccc1)c1ccccc1.O
Title of publication	Crystal structure of 3-phenylpyridinium pentachloro(3-phenylpyridine-kN)platinate(IV) hydrate, [C11H10N][PtCl5(C11H9N)] · H2O
Authors of publication	Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	1
Pages of publication	12
a	7.2901 ± 0.0005 Å
b	21.9411 ± 0.0016 Å
c	29.264 ± 0.002 Å
α	90°
β	92.829 ± 0.002°
γ	90°
Cell volume	4675.2 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0807
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
176728 (current)	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.	8103303.cif
52268	2012-04-09	../uploads/cif-deposit/cod/cif Adding structures of 8103303 via cif-deposit CGI script.	8103303.cif