Crystallography Open Database

Information card for entry 7206474

7206473 << 7206474 >> 7206475

Preview

Coordinates	7206474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Cu3 I4 N
Calculated formula	C12 H28 Cu3 I4 N
Title of publication	Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems
Authors of publication	Jalilian, Ehsan; Lidin, Sven
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	19
Pages of publication	5730
a	17.7014 ± 0.0004 Å
b	11.4494 ± 0.0003 Å
c	10.9541 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2220.07 ± 0.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for significantly intense reflections	1.08
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7206474.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206474.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206474.cif
27995	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206473, 7206474, 7206475, 7206476, 7206477, 7206478 via cif-deposit CGI script.	7206474.cif