Crystallography Open Database

Information card for entry 7216066

Preview

Coordinates	7216066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 B Cu6 F4 I5 N12 O S6
Calculated formula	C48 H42 B Cu6 F4 I5 N12 O S6
Title of publication	A chiral coordination polymer containing copper(i) iodide layer composed of intersecting [CuI]n helices
Authors of publication	Peng, Rong; Wu, Tao; Li, Dan
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	97
Pages of publication	595
a	13.5662 ± 0.0007 Å
b	13.5662 ± 0.0007 Å
c	20.1867 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	3217.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.70173 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180491 (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 7/21/60.	7216066.cif
114330	2014-05-23	cif/ Adding structures of 7216066 via cif-deposit CGI script.	7216066.cif