Crystallography Open Database

Information card for entry 7216306

Preview

Coordinates	7216306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 B Cu F4 N2 S2
Calculated formula	C8 H14 B Cu F4 N2 S2
Title of publication	Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane
Authors of publication	Knaust, Jacqueline M.; Keller, Steven W.
Journal of publication	CrystEngComm
Year of publication	2003
Journal volume	5
Journal issue	81
Pages of publication	459
a	12.893 ± 0.005 Å
b	11.621 ± 0.004 Å
c	19.044 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2853.4 ± 1.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	0.815
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
180494 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/63.	7216306.cif
115362	2014-06-03	cif/ Adding structures of 7216306, 7216307, 7216308, 7216309 via cif-deposit CGI script.	7216306.cif