Crystallography Open Database

Information card for entry 4333529

Preview

Coordinates	4333529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 N2 Pt
Calculated formula	C24 H16 N2 Pt
SMILES	c12ccccc1c1c(cccc1)[Pt]12[n]2cccc3ccc4ccc[n]1c4c23
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	10.1828 ± 0.0006 Å
b	13.9182 ± 0.0008 Å
c	12.8693 ± 0.0007 Å
α	90°
β	112.509 ± 0.003°
γ	90°
Cell volume	1684.97 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0193
Residual factor for significantly intense reflections	0.0156
Weighted residual factors for significantly intense reflections	0.0335
Weighted residual factors for all reflections included in the refinement	0.0347
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	4333529.cif
99324	2014-01-31	cif/ Adding structures of 4333529 via cif-deposit CGI script.	4333529.cif