Crystallography Open Database

Information card for entry 1571493

Preview

Coordinates	1571493.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>mer</i>-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate
Formula	C26.33 H28.65 N8 Ni O S2
Calculated formula	C26.328 H28.656 N8 Ni O S2
Title of publication	mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate
Authors of publication	Awang Adam, Raudhatul Nadhirah; Keasberry, Natasha Ann; Sheikh Abdul Hamid, Malai Haniti
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	4
Pages of publication	x240339
a	10.056 ± 0.0006 Å
b	21.3696 ± 0.0009 Å
c	12.5648 ± 0.0006 Å
α	90°
β	100.161 ± 0.002°
γ	90°
Cell volume	2657.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1571493.cif
291387	2024-04-27	cif/ Adding structures of 1571493 via cif-deposit CGI script.	1571493.cif