Crystallography Open Database

Information card for entry 7022066

7022065 << 7022066 >> 7022067

Preview

Coordinates	7022066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H35 N5 Ni O6
Calculated formula	C23 H35 N5 Ni O6
Title of publication	Synthesis, structure, magnetic properties and biological activity of supramolecular copper(II) and nickel(II) complexes with a Schiff base ligand derived from vitamin B6.
Authors of publication	Mukherjee, Tirtha; Costa Pessoa, João; Kumar, Amit; Sarkar, Asit R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	7
Pages of publication	2594 - 2607
a	22.768 ± 0.004 Å
b	7.0751 ± 0.001 Å
c	18.218 ± 0.003 Å
α	90°
β	118.618 ± 0.008°
γ	90°
Cell volume	2576.1 ± 0.7 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179925 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022066.cif
89959	2013-11-17	cif/ Adding structures of 7022065, 7022066 via cif-deposit CGI script.	7022066.cif