Crystallography Open Database

Information card for entry 1559947

Preview

Coordinates	1559947.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	csiMOF-6
Formula	C30 H14 Cd N4 O8 S
Calculated formula	C30 H14 Cd N4 O8 S
Title of publication	A cofacial metal‒organic framework based photocathode for carbon dioxide reduction
Authors of publication	Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M.
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	10
Pages of publication	3608 - 3614
a	12.9936 ± 0.0001 Å
b	19.8725 ± 0.0001 Å
c	20.0366 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5173.76 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1811
Weighted residual factors for all reflections included in the refinement	0.1861
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263672 (current)	2021-04-05	cif/ Updating files of 1559946, 1559947 Original log message: Adding full bibliography for 1559946--1559947.cif.	1559947.cif
260501	2021-01-05	cif/ Adding structures of 1559946, 1559947 via cif-deposit CGI script.	1559947.cif