Crystallography Open Database

Information card for entry 4301450

Preview

Coordinates	4301450.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	eisjs32
Formula	C31 H24 Cl2 N2 O2 Pt S
Calculated formula	C31 H24 Cl2 N2 O2 Pt S
Title of publication	Synthesis, Electrochemistry, Photophysics, and Solvatochromism in New Cyclometalated 6-Phenyl-4-(p-R-phenyl)-2,2'-bipyridyl (R = Me, COOMe, P(O)(OEt)2) (C^N^N) Platinum(II) Thiophenolate Chromophores
Authors of publication	Jacob Schneider; Pingwu Du; Xiaoyong Wang; William W. Brennessel; Richard Eisenberg
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	1498 - 1506
a	7.508 ± 0.0009 Å
b	16.2851 ± 0.0019 Å
c	23.239 ± 0.003 Å
α	81.577 ± 0.002°
β	89.13 ± 0.002°
γ	89.437 ± 0.002°
Cell volume	2810.3 ± 0.6 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179052 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/14.	4301450.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301450.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301450.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301450.cif