Crystallography Open Database

Information card for entry 7041253

Preview

Coordinates	7041253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Cl N2 Ru Te
Calculated formula	C27 H31 Cl N2 Ru Te
SMILES	[Ru]1234(Cl)(C#[Te])(=C5N(c6c(C)cc(C)cc6C)CCN5c5c(cc(cc5C)C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
Title of publication	A ruthenium tellurocarbonyl (CTe) complex with a cyclopentadienyl ligand: systematic studies of a series of chalcogenocarbonyl complexes [CpRuCl(CE)(H2IMes)] (E = O, S, Se, Te).
Authors of publication	Suzuki, Ayumi; Arai, Takahiro; Ikenaga, Kota; Mutoh, Yuichiro; Tsuchida, Noriko; Saito, Shinichi; Ishii, Youichi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	46
Journal issue	1
Pages of publication	44 - 48
a	13.7432 ± 0.0014 Å
b	14.4994 ± 0.0015 Å
c	13.7674 ± 0.0014 Å
α	90°
β	109.486 ± 0.001°
γ	90°
Cell volume	2586.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0181
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0414
Weighted residual factors for all reflections included in the refinement	0.0423
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
191688 (current)	2017-02-04	cif/ Updating files of 7041253 Original log message: Adding full bibliography for 7041253.cif.	7041253.cif
188667	2016-11-25	cif/ Adding structures of 7041253 via cif-deposit CGI script.	7041253.cif