Crystallography Open Database

Information card for entry 4115477

Preview

Coordinates	4115477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H71 O6 P Pd2 Ru2 S4 Ti2
Calculated formula	C58 H71 O6 P Pd2 Ru2 S4 Ti2
Title of publication	A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne
Authors of publication	Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	3826 - 3827
a	25.129 ± 0.004 Å
b	25.477 ± 0.004 Å
c	18.786 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	12027 ± 3 Å³
Cell temperature	294.2 K
Ambient diffraction temperature	294.2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.0479
Goodness-of-fit parameter for all reflections included in the refinement	1.464
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.	4115477.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115477.cif
69030	2012-11-30	cif/ Adding structures of 4115477 via cif-deposit CGI script.	4115477.cif