Crystallography Open Database

Information card for entry 4327402

Preview

Coordinates	4327402.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Potassium bromocyanocuprate
Formula	C2 Br Cu2 K N2 O
Calculated formula	C2 Br Cu2 K N2 O
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	7.5522 ± 0.0004 Å
b	10.4461 ± 0.0005 Å
c	9.3825 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	740.2 ± 0.07 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for all reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0331
Weighted residual factors for all reflections included in the refinement	0.0331
Goodness-of-fit parameter for all reflections included in the refinement	1.0508
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.	4327402.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327402.cif
61173	2012-06-25	cif/ Adding structures of 4327402 via cif-deposit CGI script.	4327402.cif