Crystallography Open Database

Information card for entry 7706896

Preview

Coordinates	7706896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 Cl3 N2 Nb O4
Calculated formula	C10 H20 Cl3 N2 Nb O4
SMILES	[Nb]12(Cl)(Cl)(Cl)([O]=C(N(CC)CC)O1)[O]=C(N(CC)CC)O2
Title of publication	Non-precious metal carbamates as catalysts for the aziridine/CO<sub>2</sub> coupling reaction under mild conditions.
Authors of publication	Bresciani, Giulio; Zacchini, Stefano; Marchetti, Fabio; Pampaloni, Guido
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	15
Pages of publication	5351 - 5359
a	15.3038 ± 0.0015 Å
b	16.5965 ± 0.0016 Å
c	13.8932 ± 0.0014 Å
α	90°
β	90.886 ± 0.002°
γ	90°
Cell volume	3528.3 ± 0.6 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	0.0325
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0553
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266083 (current)	2021-06-05	cif/ Updating files of 7706896, 7706897 Original log message: Adding full bibliography for 7706896--7706897.cif.	7706896.cif
263101	2021-03-18	cif/ Adding structures of 7706896, 7706897 via cif-deposit CGI script.	7706896.cif