Crystallography Open Database

Information card for entry 4116602

Preview

Coordinates	4116602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H52 O16 P4 Pt4 S8
Calculated formula	C24 O16 P4 Pt4 S8
SMILES	C1(C)=[O][Pt]2345[S]=P(OCC)(OCC)S[Pt]675([O]=C(C)O[Pt]587([O]=C(C)O[Pt]48([O]=C(C)O2)([S]=P(OCC)(OCC)S3)SP(OCC)(OCC)=[S]5)SP(OCC)(OCC)=[S]6)O1
Title of publication	Syntheses and Structures of Bridge and Chelate Isomers of Tetraplatinum(II) Cluster Complex with Diethyldithiophosphate Ion (Et2dtp) at In-Plane Sites, [Pt4(CH3COO)4(Et2dtp)4], and Their Mutual Isomerization via Cluster Core Rotation
Authors of publication	Tadashi Yamaguchi; Haruko Saito; Taro Maki; Tasuku Ito
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	10738 - 10742
a	12.794 ± 0.008 Å
b	24.99 ± 0.003 Å
c	14.927 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4772 ± 3 Å³
Cell temperature	183.2 K
Ambient diffraction temperature	183.2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for all reflections included in the refinement	0.0374
Goodness-of-fit parameter for all reflections included in the refinement	1.477
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4116602.cif
72729	2013-01-26	cif/ Adding structures of 4116602 via cif-deposit CGI script.	4116602.cif