Crystallography Open Database

Information card for entry 7708598

Preview

Coordinates	7708598.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	diazido-tetrakis(1-methylimidazole)nickel(II)
Formula	C16 H24 N14 Ni
Calculated formula	C16 H24 N14 Ni
Title of publication	A novel 'main-part' isostructuralism in metal complexes with 1-methylimidazole: crystal structures, energy calculations and magnetic properties
Authors of publication	Perez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; González M., Marlene; Ben Altabef, Aida; Gomila, Rosa Maria; Frontera, Antonio; Gil, Diego M.
Journal of publication	Dalton Transactions
Year of publication	2021
a	6.9174 ± 0.0005 Å
b	9.0586 ± 0.0007 Å
c	9.2754 ± 0.0008 Å
α	76.786 ± 0.007°
β	75.45 ± 0.007°
γ	80.212 ± 0.006°
Cell volume	543.76 ± 0.08 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
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
270115 (current)	2021-10-29	cif/ Adding structures of 7708597, 7708598 via cif-deposit CGI script.	7708598.cif