Crystallography Open Database

Information card for entry 7126484

Preview

Coordinates	7126484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H73 Cd3 Cl3 N6 O14
Calculated formula	C89 H73 Cd3 Cl3 N6 O14
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	16.4 ± 0.003 Å
b	16.98 ± 0.003 Å
c	20.488 ± 0.003 Å
α	92.38 ± 0.004°
β	111.486 ± 0.004°
γ	116.958 ± 0.003°
Cell volume	4581.4 ± 1.4 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1571
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for significantly intense reflections	0.228
Weighted residual factors for all reflections included in the refinement	0.2572
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
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.	7126484.cif
251387	2020-05-02	cif/ Adding structures of 7126483, 7126484, 7126485, 7126486, 7126487, 7126488, 7126489 via cif-deposit CGI script.	7126484.cif