Crystallography Open Database

Information card for entry 8103067

Preview

Coordinates	8103067.cif

Structure parameters

Chemical name	(2,2'-Bipyrimidine-κ^2^N,N')dibromoplatinum(II)
Formula	C8 H6 Br2 N4 Pt
Calculated formula	C8 H6 Br2 N4 Pt
SMILES	[Pt]1([n]2c(c3[n]1cccn3)nccc2)(Br)Br
Title of publication	Crystal structure of dibromo(2,2'-bipyrimidine-κ2N,N')platinum(II), PtBr2(C8H6N4)
Authors of publication	Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	53
a	15.2137 ± 0.0012 Å
b	21.3255 ± 0.0017 Å
c	6.9479 ± 0.0006 Å
α	90°
β	102.16 ± 0.002°
γ	90°
Cell volume	2203.6 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0819
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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.	8103067.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103067.cif
28962	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103067 via cif-deposit CGI script.	8103067.cif