Crystallography Open Database

Information card for entry 7009247

Preview

Coordinates	7009247.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 5b(Ni)
Formula	C39 H66 Cl2 Co2 Ni2 O20 P6
Calculated formula	C39 H48 Cl2 Co2 Ni2 O20 P6
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	19.103 ± 0.005 Å
b	14.8 ± 0.002 Å
c	21.34 ± 0.002 Å
α	90°
β	113.253 ± 0.003°
γ	90°
Cell volume	5543.3 ± 1.7 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1703
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	1.419
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
179796 (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 7/00/92.	7009247.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009247.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009247.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009247.cif