Crystallography Open Database

Information card for entry 7234908

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Coordinates	7234908.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	9.4129 ± 0.0003 Å
b	9.5475 ± 0.0003 Å
c	23.9584 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2153.13 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.044
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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