Crystallography Open Database

Information card for entry 7225157

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Coordinates	7225157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Br1.37 Cl0.64 N2 Zn
Calculated formula	C10 H8 Br1.365 Cl0.635 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	7.7335 ± 0.0013 Å
b	8.9213 ± 0.0015 Å
c	9.2304 ± 0.0016 Å
α	114.064 ± 0.004°
β	95.245 ± 0.004°
γ	96.005 ± 0.004°
Cell volume	571.96 ± 0.17 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 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	0.0522
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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