Crystallography Open Database

Information card for entry 7008188

Preview

Coordinates	7008188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H63 Cu2 N3 O8
Calculated formula	C55 H63 Cu2 N3 O8
Title of publication	Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures.
Authors of publication	Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	5
Pages of publication	857 - 864
a	8.4084 ± 0.0016 Å
b	10.0249 ± 0.0019 Å
c	17.246 ± 0.003 Å
α	97.396 ± 0.003°
β	99.356 ± 0.003°
γ	110.158 ± 0.003°
Cell volume	1319.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0492
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
179785 (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 7/00/81.	7008188.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008188.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008188.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008188.cif