Crystallography Open Database

Information card for entry 7206473

7206472 << 7206473 >> 7206474

Preview

Coordinates	7206473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 Cu6 I9 N3
Calculated formula	C12 H36 Cu6 I9 N3
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	8.0956 ± 0.0002 Å
b	9.4197 ± 0.0002 Å
c	24.9028 ± 0.0006 Å
α	100.218 ± 0.0019°
β	94.2642 ± 0.0018°
γ	94.0046 ± 0.0018°
Cell volume	1857.07 ± 0.08 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0561
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for significantly intense reflections	2.07
Goodness-of-fit parameter for all reflections included in the refinement	1.94
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.	7206473.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206473.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206473.cif
27995	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206473, 7206474, 7206475, 7206476, 7206477, 7206478 via cif-deposit CGI script.	7206473.cif