Crystallography Open Database

Information card for entry 7712002

7712001 << 7712002 >> 7712003

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Coordinates	7712002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H52 Cd N3 O16
Calculated formula	C44 H41 Cd N2 O13
Title of publication	Ferric ion substitution renders cadmium metal-organic framework derivatives for modulated Li storage based on local oxidation active centers.
Authors of publication	Jiang, Wei; Gao, Baihui; Yan, Guosong; Xu, Shichong; Chu, Xianyu; Che, Guangbo; Liu, Bo; Lu, Ming; Liu, Chunbo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	754 - 762
a	21.479 ± 0.004 Å
b	7.9353 ± 0.0016 Å
c	32.66 ± 0.006 Å
α	90°
β	105.015 ± 0.004°
γ	90°
Cell volume	5376.6 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.123
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1695
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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
283339 (current)	2023-05-05	cif/ Updating files of 7712002 Original log message: Adding full bibliography for 7712002.cif.	7712002.cif
280023	2022-12-24	cif/ Adding structures of 7712002 via cif-deposit CGI script.	7712002.cif