Crystallography Open Database

Information card for entry 7225152

Preview

Coordinates	7225152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Br1.75 Cl0.25 N2 Zn
Calculated formula	C10 H8 Br1.754 Cl0.246 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	10.755 ± 0.006 Å
b	14.818 ± 0.008 Å
c	7.775 ± 0.004 Å
α	90°
β	97.568 ± 0.009°
γ	90°
Cell volume	1228.3 ± 1.1 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.0587
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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