Crystallography Open Database

Information card for entry 1566681

Preview

Coordinates	1566681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H32 Co2 O7 P2
Calculated formula	C45 H32 Co2 O7 P2
SMILES	[Co]123([Co](C2=O)(C#[O])(C#[O])(C3=O)C#[O])([P](c2cccc3c2Oc2c(C3(C)C)cccc2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
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	10.8578 ± 0.0008 Å
b	11.6947 ± 0.0009 Å
c	17.4282 ± 0.0013 Å
α	106.744 ± 0.003°
β	95.84 ± 0.003°
γ	112.496 ± 0.003°
Cell volume	1900.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
275775 (current)	2022-06-06	cif/ Updating files of 1566680, 1566681 Original log message: Adding full bibliography for 1566680--1566681.cif.	1566681.cif
273897	2022-03-23	cif/ Adding structures of 1566680, 1566681 via cif-deposit CGI script.	1566681.cif