Crystallography Open Database

Information card for entry 7203290

7203289 << 7203290 >> 7203291

Preview

Coordinates	7203290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H51 Cl2 Cu N4 O9.5 S4
Calculated formula	C50 H44 Cl2 Cu N4 O9.5 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	14.7535 ± 0.0008 Å
b	10.3848 ± 0.0006 Å
c	35.2904 ± 0.0019 Å
α	90°
β	99.713 ± 0.002°
γ	90°
Cell volume	5329.4 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1611
Weighted residual factors for all reflections included in the refinement	0.1736
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7203290.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203290.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203290.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203290.cif