Crystallography Open Database

Information card for entry 7001295

Preview

Coordinates	7001295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C188 H226 Cu10 N26 O38
Calculated formula	C188 H210 Cu10 N26 O38
Title of publication	Initial employment of α-benzoin oxime as a route to high-nuclearity metal clusters: decanuclear CuII complexes with a wheel topology
Authors of publication	Vlahopoulou, Gina C.; Stamatatos, Theocharis C.; Psycharis, Vassilis; Perlepes, Spyros P.; Christou, George
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	19
Pages of publication	3646 - 3649
a	17.6557 ± 0.0003 Å
b	17.9324 ± 0.0003 Å
c	18.0189 ± 0.0003 Å
α	67.52 ± 0.001°
β	85.575 ± 0.001°
γ	65.977 ± 0.001°
Cell volume	4793.97 ± 0.15 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1892
Weighted residual factors for all reflections included in the refinement	0.1959
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179709 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/12.	7001295.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001295.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001295.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001295.cif