Crystallography Open Database

Information card for entry 7210961

Preview

Coordinates	7210961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H27 Cu3 I3 N6
Calculated formula	C18 H27 Cu3 I3 N6
Title of publication	Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties
Authors of publication	Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	38
Pages of publication	7792
a	10.352 ± 0.002 Å
b	10.76 ± 0.002 Å
c	11.977 ± 0.002 Å
α	106.782 ± 0.003°
β	90.335 ± 0.003°
γ	101.715 ± 0.003°
Cell volume	1247.7 ± 0.4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
180440 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/09.	7210961.cif
90162	2013-11-17	cif/ Adding structures of 7210953, 7210954, 7210955, 7210956, 7210957, 7210958, 7210959, 7210960, 7210961 via cif-deposit CGI script.	7210961.cif