Crystallography Open Database

Information card for entry 4306970

Preview

Coordinates	4306970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cl2 N2 Pt
Calculated formula	C12 H8 Cl2 N2 Pt
SMILES	[Pt]1([n]2cccc3ccc4ccc[n]1c4c23)(Cl)Cl
Title of publication	Selection and Discovery of Polymorphs of Platinum Complexes Facilitated by Polymer-Induced Heteronucleation
Authors of publication	Adam L. Grzesiak; Adam J. Matzger
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	453 - 457
a	18.257 ± 0.01 Å
b	9.167 ± 0.005 Å
c	6.866 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1149.1 ± 1.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
179107 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/69.	4306970.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306970.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306970.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306970.cif