Crystallography Open Database

Information card for entry 7002668

Preview

Coordinates	7002668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H78 Cu4 N4 O11
Calculated formula	C51 H72 Cu4 N4 O9.25
Title of publication	Four μ4-oxo-bridged copper(ii) complexes: magnetic properties and catalytic applications in liquid phase partial oxidation reactions
Authors of publication	Roy, Partha; Nandi, Mahasweta; Manassero, Mario; Riccó, Mauro; Mazzani, Marcello; Bhaumik, Asim; Banerjee, Pradyot
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	43
Pages of publication	9543 - 9554
a	13.2184 ± 0.0007 Å
b	13.2184 Å
c	34.169 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5970.2 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.093
Goodness-of-fit parameter for all reflections	0.979
Goodness-of-fit parameter for significantly intense reflections	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179730 (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 7/00/26.	7002668.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002668.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002668.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002668.cif