Crystallography Open Database

Information card for entry 7241314

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Coordinates	7241314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Br2 Cl4 N10 Zn2
Calculated formula	C22 H16 Br2 Cl4 N10 Zn2
Title of publication	A C(π-hole)···Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly
Authors of publication	Ramirez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon; Elguero, Jose; Escrivá, Emilio
Journal of publication	CrystEngComm
Year of publication	2020
a	15.3058 ± 0.0005 Å
b	12.5506 ± 0.0003 Å
c	15.1113 ± 0.0004 Å
α	90°
β	99.054 ± 0.003°
γ	90°
Cell volume	2866.67 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0434
Weighted residual factors for all reflections included in the refinement	0.0441
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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