Crystallography Open Database

Information card for entry 7003542

Preview

Coordinates	7003542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H76.5 Cl6 Ga N3.5 O3
Calculated formula	C63 H76.5 Cl6 Ga N3.5 O3
Title of publication	Effect of the substituents on the spin coupling between iminosemiquinone π-radicals mediated by diamagnetic metal ions: l.s. Co(iii) vs Ga(iii)
Authors of publication	Chaudhuri, Phalguni; Wagner, Rita; Pieper, Ulrich; Biswas, Biplab; Weyhermüller, Thomas
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	10
Pages of publication	1286 - 1288
a	18.2999 ± 0.0009 Å
b	19.7567 ± 0.0009 Å
c	35.0963 ± 0.0015 Å
α	90°
β	93.22 ± 0.01°
γ	90°
Cell volume	12668.9 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.137
Residual factor for significantly intense reflections	0.1145
Weighted residual factors for significantly intense reflections	0.2896
Weighted residual factors for all reflections included in the refinement	0.2994
Goodness-of-fit parameter for all reflections included in the refinement	1.248
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.	7003542.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003542.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003542.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003542.cif