Crystallography Open Database

Information card for entry 4316003

Preview

Coordinates	4316003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 Cu4 I4 S3
Calculated formula	C12 H30 Cu4 I4 S3
Title of publication	Reactivity of CuI and CuBr toward Et2S: a Reinvestigation on the Self-Assembly of Luminescent Copper(I) Coordination Polymers
Authors of publication	Michael Knorr; Abdoulaye Pam; Abderrahim Khatyr; Carsten Strohmann; Marek M. Kubicki; Yoann Rousselin; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5834 - 5844
a	13.159 ± 0.0004 Å
b	11.5203 ± 0.0003 Å
c	18.3708 ± 0.0006 Å
α	90°
β	103.854 ± 0.001°
γ	90°
Cell volume	2703.92 ± 0.14 Å³
Cell temperature	275 ± 2 K
Ambient diffraction temperature	275 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
179240 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/60.	4316003.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316003.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316003.cif
9170	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316003 via cif-deposit CGI script.	4316003.cif