Crystallography Open Database

Information card for entry 4508849

Preview

Coordinates	4508849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Cl Pd0.5 Se
Calculated formula	C12 H10 Cl Pd0.5 Se
Title of publication	Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)
Authors of publication	Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	10
Pages of publication	2376
a	5.6464 ± 0.0011 Å
b	17.218 ± 0.003 Å
c	11.927 ± 0.002 Å
α	90°
β	96.89 ± 0.03°
γ	90°
Cell volume	1151.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.042
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4508849.cif
96967	2014-01-29	cif/ Adding structures of 4508849 via cif-deposit CGI script.	4508849.cif