Crystallography Open Database

Information card for entry 7706897

Preview

Coordinates	7706897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 Br2.06 Cl0.94 N2 Nb O4
Calculated formula	C10 H20 Br2.049 Cl0.951 N2 Nb O4
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	7.4915 ± 0.0014 Å
b	12.296 ± 0.002 Å
c	9.6832 ± 0.0018 Å
α	90°
β	95.837 ± 0.008°
γ	90°
Cell volume	887.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	7706897.cif
263101	2021-03-18	cif/ Adding structures of 7706896, 7706897 via cif-deposit CGI script.	7706897.cif