Crystallography Open Database

Information card for entry 7053510

Preview

Coordinates	7053510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H72 P2 Pt S2
Calculated formula	C58 H72 P2 Pt S2
SMILES	C12=[P](c3c(cc(cc3C(C)(C)C)C(C)(C)C)C(C)(C)C)[Pt]3(Sc4ccccc4S3)[P](=C2C(=C1c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Synthesis and structures of platinum diphenylacetylene and dithiolate complexes bearing diphosphinidenecyclobutene ligands (DPCB-Y)
Authors of publication	Nakajima, Yumiko; Nakatani, Mitsuharu; Hayashi, Kyohei; Shiraishi, Yu; Takita, Ryo; Okazaki, Masaaki; Ozawa, Fumiyuki
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	8
Pages of publication	1713
a	15.746 ± 0.002 Å
b	16.859 ± 0.002 Å
c	19.937 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5292.5 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P n c a
Hall space group symbol	-P 2a 2n
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	0.627
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180089 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/35.	7053510.cif
93706	2014-01-13	cif/ Adding structures of 7053510, 7053511, 7053512, 7053513, 7053514, 7053515 via cif-deposit CGI script.	7053510.cif