Crystallography Open Database

Information card for entry 7002739

Preview

Coordinates	7002739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H34 Cl4 Cr N5 O15
Calculated formula	C11 H34 Cl4 Cr N5 O15
Title of publication	Mechanistic aspects of the chemistry of mononuclear CrIII complexes with pendant-arm macrocyclic ligands and formation of discrete CrIII/FeII and CrIII/FeII/CoIII cyano-bridged mixed valence compounds
Authors of publication	Basallote, Manuel G.; Bernhardt, Paul V.; Calvet, Teresa; Castillo, Carmen E.; Font-Bardia, Mercè; Martínez, Manuel; Rodríguez, Carlos
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	43
Pages of publication	9567 - 9577
a	15.92 ± 0.01 Å
b	13.841 ± 0.002 Å
c	11.964 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2636.3 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.1944
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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
179731 (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 7/00/27.	7002739.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002739.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002739.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002739.cif