Crystallography Open Database

Information card for entry 7126489

Preview

Coordinates	7126489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.75 H50.75 Cd3 N3.25 O14.25
Calculated formula	C69.75 H50.75 Cd3 N3.25 O14.25
Title of publication	An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.
Authors of publication	Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	44
Pages of publication	5877 - 5880
a	16.713 ± 0.003 Å
b	16.927 ± 0.002 Å
c	17.944 ± 0.003 Å
α	65.931 ± 0.004°
β	77.105 ± 0.004°
γ	62.489 ± 0.004°
Cell volume	4107.1 ± 1.1 Å³
Cell temperature	205 ± 2 K
Ambient diffraction temperature	205 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.197
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.2295
Weighted residual factors for all reflections included in the refinement	0.2749
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
252681 (current)	2020-06-05	cif/ Updating files of 7126483, 7126484, 7126485, 7126486, 7126487, 7126488, 7126489 Original log message: Adding full bibliography for 7126483--7126489.cif.	7126489.cif
251387	2020-05-02	cif/ Adding structures of 7126483, 7126484, 7126485, 7126486, 7126487, 7126488, 7126489 via cif-deposit CGI script.	7126489.cif