Crystallography Open Database

Information card for entry 7111679

Preview

Coordinates	7111679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 Cl4 N4 O Pt
Calculated formula	C30 H42 Cl4 N4 O Pt
SMILES	[Pt]12(Cl)(Cl)(Cl)[n]3ccc(cc3c3[n]1c(cc(c3)C(C)(C)C)c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C.[Cl-].CN(C)C=O
Title of publication	Platinum(iv)-κ3-terpyridine complexes: synthesis with spectroscopic and structural characterization
Authors of publication	Baddour, Frederick G.; Kahn, Michael I.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	27
Pages of publication	4968 - 4970
a	26.211 ± 0.002 Å
b	18.7055 ± 0.0016 Å
c	17.638 ± 0.0014 Å
α	90°
β	108.51 ± 0.003°
γ	90°
Cell volume	8200.4 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
180230 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111679.cif
96731	2014-01-29	cif/ Adding structures of 7111677, 7111678, 7111679, 7111680, 7111681 via cif-deposit CGI script.	7111679.cif