Crystallography Open Database

Information card for entry 1567312

Preview

Coordinates	1567312.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cr_snow
Formula	C54 H84 Cl Cr N2 O5
Calculated formula	C54 H84 Cl Cr N2 O5
Title of publication	Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design
Authors of publication	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	33
Pages of publication	9595 - 9606
a	27.514 ± 0.002 Å
b	12.1313 ± 0.0011 Å
c	32.252 ± 0.004 Å
α	90°
β	99.556 ± 0.007°
γ	90°
Cell volume	10615.7 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2037
Residual factor for significantly intense reflections	0.1291
Weighted residual factors for significantly intense reflections	0.3138
Weighted residual factors for all reflections included in the refinement	0.3808
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
277665 (current)	2022-09-06	cif/ Updating files of 1567306, 1567307, 1567308, 1567309, 1567310, 1567311, 1567312 Original log message: Adding full bibliography for 1567306--1567312.cif.	1567312.cif
276804	2022-07-23	cif/ Adding structures of 1567306, 1567307, 1567308, 1567309, 1567310, 1567311, 1567312 via cif-deposit CGI script.	1567312.cif