Crystallography Open Database

Information card for entry 4321408

Preview

Coordinates	4321408.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetra(n-butyl)ammonium iodo(cyano)cuprate(I)
Formula	C34 H72 Cu2 I2 N4
Calculated formula	C34 H72 Cu2 I2 N4
Title of publication	Crystal Structures and Vibrational Spectroscopy of [NBu4][Cu(CN)X] (X = Br, I) and [NBu4][Cu3(CN)4].CH3CN
Authors of publication	Graham A. Bowmaker; Hans Hartl; Victoria Urban
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4548 - 4554
a	21.683 ± 0.002 Å
b	12.233 ± 0.002 Å
c	17.632 ± 0.003 Å
α	90°
β	111.71 ± 0.01°
γ	90°
Cell volume	4345.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0697
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179317 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/14.	4321408.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321408.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321408.cif
18778	2011-05-04	../uploads/cif-deposit/cod/cif Adding structures of 4321408 via cif-deposit CGI script.	4321408.cif