Crystallography Open Database

Information card for entry 7203288

7203287 << 7203288 >> 7203289

Preview

Coordinates	7203288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H52 B2 Cu F8 N5 O0.5 S4
Calculated formula	C52 H52 B1.5 Cu F6 N5 O0.5 S4
Title of publication	New observations of structural diversity in copper(ii) complexes of diphenylsulfimide
Authors of publication	Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	5
Pages of publication	391
a	16.743 ± 0.0006 Å
b	20.5911 ± 0.0007 Å
c	30.9059 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	10655 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7203288.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203288.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203288.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203288.cif