Crystallography Open Database

Information card for entry 7247917

Preview

Coordinates	7247917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H14 Br3 Cd N
Calculated formula	C5 H14 Br3 Cd N
Title of publication	Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds.
Authors of publication	Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2024
Journal volume	26
Journal issue	5
Pages of publication	3974 - 3980
a	7.6486 ± 0.0003 Å
b	16.7161 ± 0.0008 Å
c	9.7365 ± 0.0004 Å
α	90°
β	100.265 ± 0.004°
γ	90°
Cell volume	1224.93 ± 0.09 Å³
Cell temperature	313 ± 2 K
Ambient diffraction temperature	313 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1588
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289638 (current)	2024-02-04	cif/ Updating files of 7247917, 7247918, 7247919, 7247920, 7247921, 7247922 Original log message: Adding full bibliography for 7247917--7247922.cif.	7247917.cif
288573	2023-12-31	cif/ Adding structures of 7247917, 7247918, 7247919, 7247920, 7247921, 7247922 via cif-deposit CGI script.	7247917.cif