Crystallography Open Database

Information card for entry 7045817

Preview

Coordinates	7045817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 Cu N7 O2
Calculated formula	C22 H34 Cu N7 O2.0001
Title of publication	Structure and nitrite reduction reactivity study of bio-inspired copper(i)-nitro complexes in steric and electronic considerations of tridentate nitrogen ligands.
Authors of publication	Chang, Yu-Lun; Lin, Ya-Fan; Chuang, Wan-Jung; Kao, Chai-Lin; Narwane, Manmath; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	15
Pages of publication	5335 - 5341
a	16.177 ± 0.005 Å
b	16.177 ± 0.005 Å
c	8.509 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1928.4 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
229855 (current)	2019-11-17	cif/ Updating files of 7045817, 7045818 Original log message: Adding full bibliography for 7045817--7045818.cif.	7045817.cif
206854	2018-03-09	cif/ Adding structures of 7045817, 7045818 via cif-deposit CGI script.	7045817.cif