Crystallography Open Database

Information card for entry 4345189

Preview

Coordinates	4345189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H85 Cl5 Co2 Cr2 N14 O20
Calculated formula	C61 H85 Cl5 Co2 Cr2 N14 O20
Title of publication	Effect of a κ(1)-Bonded-M-1,2,3-triazole (M = Co, Ru) on the Structure and Reactivity of Group 6 Alkoxy (Fischer) Carbenes.
Authors of publication	Giner, Elena A.; Gómez-Gallego, Mar; Casarrubios, Luis; de la Torre, María C; Ramírez de Arellano, Carmen; Sierra, Miguel A.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	5
Pages of publication	2801 - 2811
a	12.3579 ± 0.0004 Å
b	36.6595 ± 0.0015 Å
c	17.992 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8151 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.2332
Residual factor for significantly intense reflections	0.1157
Weighted residual factors for significantly intense reflections	0.2749
Weighted residual factors for all reflections included in the refinement	0.3769
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
194796 (current)	2017-04-04	cif/ Updating files of 4345189 Original log message: Adding full bibliography for 4345189.cif.	4345189.cif
191981	2017-02-11	cif/ Adding structures of 4345189 via cif-deposit CGI script.	4345189.cif