Crystallography Open Database

Information card for entry 7009245

Preview

Coordinates	7009245.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 3
Formula	C49.5 H103 Cl11 Co4 N12 Ni4 O36 P12
Calculated formula	C49.5 H103 Cl11 Co4 N12 Ni4 O36 P12
Title of publication	An entry to half-sandwich complexes of first row transition metals (Ni, Co, Mn) containing the Kläui tripodal ligand, LOMe: synthesis and crystal structures of oligomeric, [LOMeM(μ-X)(L)]n (n = 2, 4), and monomeric complexes, LOMeM(L2)(X)
Authors of publication	De-qiang Ma; Shiro Hikichi; Munetaka Akita; Yoshihiko Moro-oka
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2000
Journal issue	7
Pages of publication	1123 - 1134
a	15.391 ± 0.008 Å
b	27.946 ± 0.005 Å
c	23.403 ± 0.011 Å
α	90°
β	91.61 ± 0.05°
γ	90°
Cell volume	10062 ± 7 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1233
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for significantly intense reflections	0.1995
Weighted residual factors for all reflections included in the refinement	0.2163
Goodness-of-fit parameter for all reflections included in the refinement	1.43
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7009245.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009245.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009245.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009245.cif