Crystallography Open Database

Information card for entry 7215330

Preview

Coordinates	7215330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 Cl4 N2 Zn
Calculated formula	C16 H24 Cl4 N2 Zn
SMILES	c1c(cccc1)CC[NH3+].C(C[NH3+])c1ccccc1.[Zn](Cl)(Cl)([Cl-])[Cl-]
Title of publication	Robust motifs in 2-phenylethylammonium and related tetrahalometallates
Authors of publication	Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	3485
a	7.432 ± 0.014 Å
b	24.68 ± 0.03 Å
c	11.157 ± 0.018 Å
α	90°
β	91.7 ± 0.14°
γ	90°
Cell volume	2046 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1298
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.2
Weighted residual factors for all reflections included in the refinement	0.226
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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