Crystallography Open Database

Information card for entry 7062960

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Coordinates	7062960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Br4 Cu N2 O4
Calculated formula	C12 H24 Br4 Cu N2 O4
Title of publication	Chiral zero-dimensional hybrid organic–inorganic metal halides based on nipecotic acid and tetrabromocuprate
Authors of publication	Wang, Xianran; Wu, Yuying; Gao, Feng; Wang, Youfu
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	7
Pages of publication	3192 - 3198
a	9.8431 ± 0.001 Å
b	8.42 ± 0.0009 Å
c	25.19 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2087.7 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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