Crystallography Open Database

Information card for entry 1563935

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Coordinates	1563935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 N4 O8 Zn2
Calculated formula	C44 H32 N4 O8 Zn2
Title of publication	Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands
Authors of publication	Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	482
Pages of publication	275 - 283
a	10.7083 ± 0.0004 Å
b	13.3839 ± 0.0006 Å
c	13.3399 ± 0.0005 Å
α	90°
β	97.819 ± 0.004°
γ	90°
Cell volume	1894.08 ± 0.13 Å³
Cell temperature	200.05 ± 0.1 K
Ambient diffraction temperature	200.05 ± 0.1 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	0.0401
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
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
266993 (current)	2021-07-05	cif/ Adding structures of 1563933, 1563934, 1563935, 1563936, 1563937 via cif-deposit CGI script.	1563935.cif