Crystallography Open Database

Information card for entry 4508641

Preview

Coordinates	4508641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Br2 Cl2 N2 Pt
Calculated formula	C10 H8 Br2 Cl2 N2 Pt
SMILES	c1c(cc[n]([Pt](Cl)([n]2ccc(cc2)Br)Cl)c1)Br
Title of publication	M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)
Authors of publication	Zordan, Fiorenzo; Brammer, Lee
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	6
Pages of publication	1374
a	6.1988 ± 0.0011 Å
b	14.139 ± 0.003 Å
c	7.77 ± 0.0014 Å
α	90°
β	96.826 ± 0.003°
γ	90°
Cell volume	676.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.038
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.171
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
179622 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/86.	4508641.cif
96820	2014-01-29	cif/ Adding structures of 4508640, 4508641, 4508642, 4508643, 4508644 via cif-deposit CGI script.	4508641.cif