Crystallography Open Database

Information card for entry 4116499

Preview

Coordinates	4116499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 F12 N2 O2 P2 Ru2 S4 Ti2
Calculated formula	C36 H54 F12 N2 O2 P2 Ru2 S4 Ti2
Title of publication	Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands
Authors of publication	Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	7837 - 7845
a	20.284 ± 0.004 Å
b	11.094 ± 0.004 Å
c	21.909 ± 0.004 Å
α	90°
β	105.36 ± 0.02°
γ	90°
Cell volume	4754 ± 2 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	9
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	0.046
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0355
Weighted residual factors for all reflections included in the refinement	0.0355
Goodness-of-fit parameter for all reflections included in the refinement	1.855
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.	4116499.cif
72616	2013-01-22	cif/ Adding structures of 4116499 via cif-deposit CGI script.	4116499.cif