Crystallography Open Database

Information card for entry 7062959

Preview

Coordinates	7062959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Br4 Cu N2 O4
Calculated formula	C12 H24 Br4.0008 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	8.3889 ± 0.0005 Å
b	9.8846 ± 0.0007 Å
c	25.0684 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2078.7 ± 0.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.0325
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290246 (current)	2024-03-04	cif/ Updating files of 7062959, 7062960 Original log message: Adding full bibliography for 7062959--7062960.cif.	7062959.cif
289028	2024-01-11	cif/ Adding structures of 7062959, 7062960 via cif-deposit CGI script.	7062959.cif