Crystallography Open Database

Information card for entry 7044891

Preview

Coordinates	7044891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H48 Cu6 O30
Calculated formula	C78 H36 Cu6 O30
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	28.3675 ± 0.0001 Å
b	28.3675 ± 0.0001 Å
c	28.6376 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	23045.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1654
Weighted residual factors for all reflections included in the refinement	0.1677
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
230078 (current)	2019-11-17	cif/ Updating files of 7044890, 7044891 Original log message: Adding full bibliography for 7044890--7044891.cif.	7044891.cif
203748	2017-11-29	cif/ Adding structures of 7044890, 7044891 via cif-deposit CGI script.	7044891.cif