Crystallography Open Database

Information card for entry 7111677

Preview

Coordinates	7111677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H39 Cl6 N3 Pt
Calculated formula	C28 H37 Cl4 N3 Pt
SMILES	[Pt]12(Cl)[n]3ccc(cc3c3cc(cc([n]13)c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cl-].ClCCl
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	12.6476 ± 0.0008 Å
b	18.6217 ± 0.0012 Å
c	14.8974 ± 0.001 Å
α	90°
β	104.101 ± 0.001°
γ	90°
Cell volume	3402.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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.	7111677.cif
96731	2014-01-29	cif/ Adding structures of 7111677, 7111678, 7111679, 7111680, 7111681 via cif-deposit CGI script.	7111677.cif