Crystallography Open Database

Information card for entry 4302466

Preview

Coordinates	4302466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 N12 Ni4 O12
Calculated formula	C44 H60 N12 Ni4 O12
Title of publication	The Crucial Role of Polyatomic Anions in Molecular Architecture: Structural And Magnetic Versatility of Five Nickel(II) Complexes Derived from A N,N,O-Donor Schiff Base Ligand
Authors of publication	Pampa Mukherjee; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	5848 - 5860
a	12.0663 ± 0.0004 Å
b	14.9246 ± 0.0004 Å
c	13.9308 ± 0.0004 Å
α	90°
β	106.76 ± 0.003°
γ	90°
Cell volume	2402.16 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0818
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	0.951
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179062 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/24.	4302466.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302466.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302466.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302466.cif