Crystallography Open Database

Information card for entry 7002808

Preview

Coordinates	7002808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H94 Cl20 Mn8 N4 O32
Calculated formula	C102 H90 Cl20 Mn8 N4 O32
Title of publication	Octanuclear manganese(ii,iii) clusters stabilized with diamino-alcoxo ligands
Authors of publication	Escuer, Albert; Vicente, Ramon; Fallah, M. Salah El; Sañudo, E. Carolina; Teat, Simon J.; de Biani, Fabrizia Fabrizi; Zanello, Piero
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	44
Pages of publication	9924 - 9928
a	14.6548 ± 0.0017 Å
b	14.9768 ± 0.0017 Å
c	15.0394 ± 0.0017 Å
α	75.01 ± 0.002°
β	78.017 ± 0.002°
γ	69.914 ± 0.002°
Cell volume	2968.8 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1751
Weighted residual factors for all reflections included in the refinement	0.193
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.6894 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179732 (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 7/00/28.	7002808.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002808.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002808.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002808.cif