Crystallography Open Database

Information card for entry 7048242

Preview

Coordinates	7048242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 B Cl4 N6 O4 P Ru S3
Calculated formula	C33 H34 B Cl4 N6 O4 P Ru S3
Title of publication	Synthesis and ligand substitution reactions of κ<sup>4</sup>-B,S,S',S''-ruthenaboratranes.
Authors of publication	Foreman, Mark R St-J; Hill, Anthony F.; Ma, Chenxi; Tshabang, Never; White, Andrew J. P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	48
Journal issue	1
Pages of publication	209 - 219
a	11.8771 ± 0.0004 Å
b	12.3847 ± 0.0004 Å
c	16.6567 ± 0.0005 Å
α	93.569 ± 0.002°
β	108.863 ± 0.003°
γ	114.826 ± 0.002°
Cell volume	2047.58 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223947 (current)	2019-11-07	cif/ Updating files of 7048239, 7048240, 7048241, 7048242, 7048243 Original log message: Adding full bibliography for 7048239--7048243.cif.	7048242.cif
212187	2018-11-27	cif/ Adding structures of 7048239, 7048240, 7048241, 7048242, 7048243 via cif-deposit CGI script.	7048242.cif