Crystallography Open Database

Information card for entry 7026157

Preview

Coordinates	7026157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 Cl N2 O2 Ru
Calculated formula	C23 H23 Cl N2 O2 Ru
SMILES	[Ru]1(Cl)([n]2ccc(cc2c2ccc(cc12)C)C(C)(C)C)([n]1ccccc1)(C#[O])C#[O]
Title of publication	The dehydrogenation of ammonia-borane catalysed by dicarbonylruthenacyclic(II) complexes.
Authors of publication	Boulho, Cédric; Djukic, Jean-Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	38
Pages of publication	8893 - 8905
a	17.6291 ± 0.0005 Å
b	11.5208 ± 0.0003 Å
c	24.1776 ± 0.0006 Å
α	90°
β	115.955 ± 0.002°
γ	90°
Cell volume	4415.2 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0418
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179967 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/61.	7026157.cif
93421	2014-01-13	cif/ Adding structures of 7026157 via cif-deposit CGI script.	7026157.cif