Crystallography Open Database

Information card for entry 7116576

Preview

Coordinates	7116576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 B4 Mo2 O6 Ru2
Calculated formula	C26 H34 B4 Mo2 O6 Ru2
SMILES	[BH]123[BH]45[Mo]6789%10%11%12%131([c]1([c]9([c]8([c]7([c]61C)C)C)C)C)[Ru]12(C#[O])(C#[O])(C#[O])[Mo]26789%1435%12([BH]%10([BH]4%112)[Ru]%131%14(C#[O])(C#[O])C#[O])[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
Title of publication	An electron-poor di-molybdenum triple-decker with a puckered [B4Ru2] bridging ring is an oblato-closo cluster
Authors of publication	Bijan Mondal; Bijnaneswar Mondal; Koushik Pal; Babu Varghese; Sundargopal Ghosh
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	3828
a	17.5892 ± 0.0004 Å
b	15.9899 ± 0.0004 Å
c	11.2183 ± 0.0003 Å
α	90°
β	102.022 ± 0.002°
γ	90°
Cell volume	3085.94 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
180279 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/65.	7116576.cif
132073	2015-02-19	cif/ Adding structures of 7116576, 7116577, 7116578, 7116579 via cif-deposit CGI script.	7116576.cif