Crystallography Open Database

Information card for entry 7241923

7241922 << 7241923 >> 7241924

Preview

Coordinates	7241923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H48 Cu N4 O11 S2
Calculated formula	C62 H47 Cu N4 O11 S2
Title of publication	Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies
Authors of publication	Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	3
Pages of publication	684 - 693
a	18.41 ± 0.009 Å
b	30.209 ± 0.014 Å
c	12.589 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	7001 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
261635 (current)	2021-02-05	cif/ Updating files of 7241923, 7241924, 7241925, 7241926, 7241927 Original log message: Adding full bibliography for 7241923--7241927.cif.	7241923.cif
260031	2020-12-20	cif/ Adding structures of 7241923, 7241924, 7241925, 7241926, 7241927 via cif-deposit CGI script.	7241923.cif