Crystallography Open Database

Information card for entry 7128149

Preview

Coordinates	7128149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H160 Cu10 N40 Nb68 O208
Calculated formula	C40 H160 Cu10 N40 Nb68 O208
Title of publication	Proton conductive polyoxoniobate frameworks constructed from nanoscale {Nb<sub>68</sub>O<sub>200</sub>} cages.
Authors of publication	Lin, Yu-Diao; Zhu, Zeng-Kui; Ge, Rui; Yu, Hao; Li, Zhong; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	38
Pages of publication	4702 - 4705
a	39.726 ± 0.003 Å
b	29.335 ± 0.002 Å
c	20.427 ± 0.0014 Å
α	90°
β	90.69 ± 0.002°
γ	90°
Cell volume	23803 ± 3 Å³
Cell temperature	175 ± 2 K
Ambient diffraction temperature	175 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1695
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265904 (current)	2021-06-05	cif/ Updating files of 7128148, 7128149 Original log message: Adding full bibliography for 7128148--7128149.cif.	7128149.cif
263956	2021-04-08	cif/ Adding structures of 7128148, 7128149 via cif-deposit CGI script.	7128149.cif