Crystallography Open Database

Information card for entry 7215335

Preview

Coordinates	7215335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 Hg I4 N2
Calculated formula	C16 H24 Hg I4 N2
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	10.8319 ± 0.0016 Å
b	8.396 ± 0.0012 Å
c	13.5792 ± 0.0019 Å
α	90°
β	98.66 ± 0.003°
γ	90°
Cell volume	1220.9 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.0581
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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