Crystallography Open Database

Information card for entry 4085884

Preview

Coordinates	4085884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H22 Cl N3
Calculated formula	C13 H22 Cl N3
SMILES	C(NC(C)C)(NC(C)C)=[NH+]c1ccccc1.[Cl-]
Title of publication	Reactivity of the Dimer [{RuCl(μ-Cl)(η3:η3-C10H16)}2] (C10H16= 2,7-Dimethylocta-2,6-diene-1,8-diyl) toward Guanidines: Access to Ruthenium(IV) and Ruthenium(II) Guanidinate Complexes
Authors of publication	Menéndez-Rodr\?íguez, Luc\?ía; Tomás-Mendivil, Eder; Francos, Javier; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	12
Pages of publication	2796
a	12.2259 ± 0.0005 Å
b	11.0068 ± 0.0004 Å
c	22.6373 ± 0.0009 Å
α	90°
β	101.515 ± 0.004°
γ	90°
Cell volume	2984.9 ± 0.2 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	4
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	0.0529
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140207 (current)	2015-07-05	cif/ Updating files of 4085883, 4085884, 4085885, 4085886, 4085887, 4085888 Original log message: Adding full bibliography for 4085883--4085888.cif.	4085884.cif
137165	2015-05-22	cif/ Adding structures of 4085883, 4085884, 4085885, 4085886, 4085887, 4085888 via cif-deposit CGI script.	4085884.cif