Crystallography Open Database

Information card for entry 4512811

Preview

Coordinates	4512811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H9 Cu N2
Calculated formula	C6 H9 Cu N2
Title of publication	Copper(I) 2-Isopropylimidazolate: Supramolecular Isomerism, Isomerization, and Luminescent Properties
Authors of publication	Su, Yu-Jun; Cui, Yi-Lan; Wang, Yu; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	4
Pages of publication	1735
a	11.071 ± 0.003 Å
b	12.496 ± 0.004 Å
c	21.806 ± 0.007 Å
α	90°
β	92.817 ± 0.006°
γ	90°
Cell volume	3013.1 ± 1.6 Å³
Cell temperature	303 ± 2 K
Ambient diffraction temperature	303 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0823
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179676 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/28.	4512811.cif
134727	2015-04-04	cif/ Updating files of 4512810, 4512811, 4512812 Original log message: Adding full bibliography for 4512810--4512812.cif.	4512811.cif
132669	2015-03-04	cif/ Adding structures of 4512810, 4512811, 4512812 via cif-deposit CGI script.	4512811.cif