Crystallography Open Database

Information card for entry 7048239

Preview

Coordinates	7048239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 B N6 O P Ru S3
Calculated formula	C21 H26 B N6 O 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	14.4644 ± 0.0002 Å
b	14.2915 ± 0.0002 Å
c	13.0253 ± 0.0001 Å
α	90°
β	102.283 ± 0.0013°
γ	90°
Cell volume	2630.93 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for all reflections	0.0954
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7048239.cif
212187	2018-11-27	cif/ Adding structures of 7048239, 7048240, 7048241, 7048242, 7048243 via cif-deposit CGI script.	7048239.cif