Crystallography Open Database

Information card for entry 4333530

Preview

Coordinates	4333530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 Cl2 N2 Pt
Calculated formula	C22 H16 N2 Pt
SMILES	[Pt]12(c3c(cccc3)c3c2cccc3)[n]2ccccc2c2cccc[n]12
Title of publication	Electronic and Photophysical Properties of Platinum(II) Biphenyl Complexes Containing 2,2'-Bipyridine and 1,10-Phenanthroline Ligands
Authors of publication	D. Paul Rillema; Arvin J. Cruz; Curtis Moore; Khamis Siam; A. Jehan; Derek Base; T. Nguyen; Wei Huang
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	596 - 607
a	38.6769 ± 0.0007 Å
b	38.6769 ± 0.0007 Å
c	9.7217 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	14542.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1301
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179438 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/35.	4333530.cif
99325	2014-01-31	cif/ Adding structures of 4333530 via cif-deposit CGI script.	4333530.cif