Crystallography Open Database

Information card for entry 4115476

Preview

Coordinates	4115476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H69 O3 P Pd2 Ru2 S4 Ti2
Calculated formula	C53 H57 O3 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	23.873 ± 0.005 Å
b	11.955 ± 0.004 Å
c	22.234 ± 0.004 Å
α	90°
β	116.47 ± 0.01°
γ	90°
Cell volume	5680 ± 3 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0471
Goodness-of-fit parameter for all reflections included in the refinement	1.539
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.	4115476.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115476.cif
69029	2012-11-30	cif/ Adding structures of 4115476 via cif-deposit CGI script.	4115476.cif