Crystallography Open Database

Information card for entry 7216307

Preview

Coordinates	7216307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 B2 Cu2 F8 N4 S4
Calculated formula	C16 H28 B2 Cu2 F8 N4 S4
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	6.671 ± 0.002 Å
b	16.939 ± 0.008 Å
c	12.941 ± 0.004 Å
α	90°
β	93.88 ± 0.03°
γ	90°
Cell volume	1459 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216307.cif
115362	2014-06-03	cif/ Adding structures of 7216306, 7216307, 7216308, 7216309 via cif-deposit CGI script.	7216307.cif