Crystallography Open Database

Information card for entry 4327403

Preview

Coordinates	4327403.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Potassium iodocyanocuprate
Formula	C6 Cu6 I3 K3 N6 O2
Calculated formula	C6 Cu6 I3 K3 N6 O2
Title of publication	Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides
Authors of publication	Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8040 - 8048
a	13.0622 ± 0.0004 Å
b	13.1167 ± 0.0004 Å
c	13.4592 ± 0.0004 Å
α	90°
β	107.684 ± 0.002°
γ	90°
Cell volume	2197.04 ± 0.12 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.116
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for all reflections	0.0992
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.1853
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4327403.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327403.cif
61174	2012-06-25	cif/ Adding structures of 4327403 via cif-deposit CGI script.	4327403.cif