Crystallography Open Database

Information card for entry 7206478

7206477 << 7206478 >> 7206479

Preview

Coordinates	7206478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.744 H92.435 Cu4 I6 N2
Calculated formula	C56 H90 Cu4 I6 N2
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	11.7445 ± 0.0006 Å
b	20.9082 ± 0.001 Å
c	29.5195 ± 0.0019 Å
α	90°
β	97.908 ± 0.005°
γ	90°
Cell volume	7179.8 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.3622
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for significantly intense reflections	1.02
Goodness-of-fit parameter for all reflections included in the refinement	0.81
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
180395 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/64.	7206478.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206478.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206478.cif
27995	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206473, 7206474, 7206475, 7206476, 7206477, 7206478 via cif-deposit CGI script.	7206478.cif