Crystallography Open Database

Information card for entry 7044890

Preview

Coordinates	7044890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 Cu2 O10
Calculated formula	C33 H14 Cu2 O10
Title of publication	A pair of polymorphous metal-organic frameworks based on an angular diisophthalate linker: synthesis, characterization and gas adsorption properties.
Authors of publication	Chen, Fengli; Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	3
Pages of publication	716 - 725
a	39.8231 ± 0.0014 Å
b	39.8231 ± 0.0014 Å
c	39.8231 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	63155 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.1098
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2182
Weighted residual factors for all reflections included in the refinement	0.2296
Goodness-of-fit parameter for all reflections included in the refinement	1.426
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
230078 (current)	2019-11-17	cif/ Updating files of 7044890, 7044891 Original log message: Adding full bibliography for 7044890--7044891.cif.	7044890.cif
203748	2017-11-29	cif/ Adding structures of 7044890, 7044891 via cif-deposit CGI script.	7044890.cif