Crystallography Open Database

Information card for entry 7234909

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Coordinates	7234909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 Br4 Cu N2
Calculated formula	C12 H32 Br4 Cu N2
Title of publication	Reversible phase transition driven by order-disorder transformations of metal-halide moieties in [(C6H14)NH2]2.CuBr4
Authors of publication	Muhammad Adnan Asghar; Shuquan Zhang; Tariq Khan; Zhihua Sun; Aurang Zeb; Chengmin Ji; Lina Li; Sangen Zhao; Junhua Luo
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	7537 - 7540
a	9.4357 ± 0.0005 Å
b	9.5934 ± 0.0005 Å
c	24.6862 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2234.61 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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