Crystallography Open Database

Information card for entry 4304425

Preview

Coordinates	4304425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H55 N3 Ni O7 V
Calculated formula	C54 H55 N3 Ni O7 V
SMILES	[Ni]1234([O]5[V]6([O]1c1c(C[N]4(CC[N]2(Cc4c5c(cc(c4)C)C)C)C)cc(cc1C)C)([O]=C(C=C(O6)c1ccccc1)c1ccccc1)=O)OC(=CC(=[O]3)c1ccccc1)c1ccccc1.N#CC
Title of publication	Tetra- and Dinuclear Nickel(II)-Vanadium(IV/V) Heterometal Complexes of a Phenol-Based N2O2 Ligand: Synthesis, Structures, and Magnetic and Redox Properties
Authors of publication	Debdas Mandal; Pabitra Baran Chatterjee; Rakesh Ganguly; Edward R. T. Tiekink; Rodolphe Clérac; Muktimoy Chaudhury
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	584 - 591
a	11.2938 ± 0.0004 Å
b	12.8014 ± 0.0005 Å
c	17.2832 ± 0.0007 Å
α	83.331 ± 0.001°
β	86.659 ± 0.001°
γ	77.124 ± 0.001°
Cell volume	2418.07 ± 0.16 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.057
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4304425.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304425.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304425.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304425.cif