Crystallography Open Database

Information card for entry 4512812

Preview

Coordinates	4512812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H11 Cu N2
Calculated formula	C8.04 H11.04 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	22.204 ± 0.007 Å
b	22.204 ± 0.007 Å
c	22.204 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	10947 ± 6 Å³
Cell temperature	303 ± 2 K
Ambient diffraction temperature	303 ± 2 K
Number of distinct elements	4
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	4512812.cif
134727	2015-04-04	cif/ Updating files of 4512810, 4512811, 4512812 Original log message: Adding full bibliography for 4512810--4512812.cif.	4512812.cif
132669	2015-03-04	cif/ Adding structures of 4512810, 4512811, 4512812 via cif-deposit CGI script.	4512812.cif