Crystallography Open Database

Information card for entry 7056073

Preview

Coordinates	7056073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H48 Cl2 N6 Ni O10
Calculated formula	C30 H48 Cl2 N6 Ni O10
Title of publication	The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands
Authors of publication	Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	8
Pages of publication	3143
a	8.9692 ± 0.0004 Å
b	9.814 ± 0.0004 Å
c	20.2915 ± 0.0007 Å
α	90°
β	101.814 ± 0.002°
γ	90°
Cell volume	1748.3 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
196486 (current)	2017-05-06	cif/ Updating files of 7056073, 7056074, 7056075, 7056076, 7056077 Original log message: Adding full bibliography for 7056073--7056077.cif.	7056073.cif
194495	2017-03-25	cif/ Adding structures of 7056073, 7056074, 7056075, 7056076, 7056077 via cif-deposit CGI script.	7056073.cif