Crystallography Open Database

Information card for entry 1566680

Preview

Coordinates	1566680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H47 Co O3 P2
Calculated formula	C50.5 H47 Co O3 P2
Title of publication	Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries
Authors of publication	Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	10
Pages of publication	3219 - 3227
a	9.9652 ± 0.0003 Å
b	18.349 ± 0.0005 Å
c	23.3602 ± 0.0009 Å
α	90°
β	96.462 ± 0.003°
γ	90°
Cell volume	4244.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1079
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
275775 (current)	2022-06-06	cif/ Updating files of 1566680, 1566681 Original log message: Adding full bibliography for 1566680--1566681.cif.	1566680.cif
273897	2022-03-23	cif/ Adding structures of 1566680, 1566681 via cif-deposit CGI script.	1566680.cif