Crystallography Open Database

Information card for entry 2023311

2023310 << 2023311 >> 2023312

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Coordinates	2023311.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	{2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-Diphenylethane-1,2-diylbis(nitrilophenylmethanylylidene)]diphenolato}nickel(II)
Formula	C40 H30 N2 Ni O2
Calculated formula	C40 H30 N2 Ni O2
Title of publication	Crystal structures and circular dichroism of {2,2′-[(1S,2S)-1,2-diphenylethane-1,2-diylbis(nitrilophenylmethanylylidene)]diphenolato}nickel(II) and its ethanol solvate
Authors of publication	Ito, Masataka; Chikaraishi Kasuga, Noriko; Matsuse, Ryo; Hirotsu, Masakazu
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	12
a	9.5487 ± 0.0002 Å
b	17.8992 ± 0.0003 Å
c	18.0001 ± 0.0003 Å
α	90°
β	94.103 ± 0.002°
γ	90°
Cell volume	3068.59 ± 0.1 Å³
Cell temperature	120.15 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
295852 (current)	2024-11-09	cif/ Adding structures of 2023311, 2023312 via cif-deposit CGI script.	2023311.cif