Crystallography Open Database

Information card for entry 4514041

Preview

Coordinates	4514041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H17 Cl7 N O5 V
Calculated formula	C24 H17 Cl7 N O5 V
Title of publication	Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate
Authors of publication	Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	7
Journal issue	4
Pages of publication	2367
a	7.1728 ± 0.0012 Å
b	13.0626 ± 0.0015 Å
c	28.541 ± 0.004 Å
α	90°
β	96.136 ± 0.005°
γ	90°
Cell volume	2658.8 ± 0.7 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1184
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.1772
Weighted residual factors for all reflections included in the refinement	0.1935
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
196107 (current)	2017-05-05	cif/ Updating files of 4514040, 4514041 Original log message: Adding full bibliography for 4514040--4514041.cif.	4514041.cif
192494	2017-03-01	cif/ Adding structures of 4514041 via cif-deposit CGI script.	4514041.cif