Crystallography Open Database

Information card for entry 7225155

Preview

Coordinates	7225155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Br0.62 Cl1.38 N2 Zn
Calculated formula	C10 H8 Br0.6191 Cl1.3809 N2 Zn
Title of publication	Fine-tuning of a thermosalient phase transition by solid solutions
Authors of publication	Nauha, Elisa; Naumov, Panče; Lusi, Matteo
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	25
Pages of publication	4699
a	7.6518 ± 0.0005 Å
b	8.8233 ± 0.0006 Å
c	9.1333 ± 0.0006 Å
α	113.523 ± 0.0013°
β	95.1819 ± 0.0015°
γ	95.9954 ± 0.0015°
Cell volume	556.37 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0209
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0436
Weighted residual factors for all reflections included in the refinement	0.0448
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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