Crystallography Open Database

Information card for entry 2022803

2022802 << 2022803 >> 2022804

Preview

Coordinates	2022803.cif
Structure factors	2022803.hkl
Original IUCr paper	HTML

Structure parameters

Common name	Bis({<i>N</i>'-[(<i>Z</i>)-(furan-2-ylmethylidene)amino]carbamimidoyl}sulfanido)nickel(II) methanol disolvate
Chemical name	Bis{(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate
Formula	C14 H20 N6 Ni O4 S2
Calculated formula	C14 H20 N6 Ni O4 S2
Title of publication	Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate
Authors of publication	Azizova, Asmet N.; Mammadova, Gunay Z.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bhattarai, Ajaya
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	7
Pages of publication	669 - 673
a	6.5394 ± 0.0011 Å
b	8.9611 ± 0.0015 Å
c	10.202 ± 0.0015 Å
α	67.965 ± 0.005°
β	79.666 ± 0.006°
γ	70.349 ± 0.006°
Cell volume	520.92 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0475
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
284740 (current)	2023-07-01	cif/ hkl/ Adding structures of 2022803 via cif-deposit CGI script.	2022803.cif 2022803.hkl