Crystallography Open Database

Information card for entry 4333996

Preview

Coordinates	4333996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H112 K2 Mn2 N4 O20
Calculated formula	C74 H112 K2 Mn2 N4 O20
Title of publication	Manganese as a Substitute for Rhenium in CO2 Reduction Catalysts: The Importance of Acids
Authors of publication	Jonathan M. Smieja; Matthew D. Sampson; Kyle A. Grice; Eric E. Benson; Jesse D. Froehlich; Clifford P. Kubiak
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2484 - 2491
a	18.2559 ± 0.0004 Å
b	18.4759 ± 0.0004 Å
c	24.2973 ± 0.0005 Å
α	90°
β	98.556 ± 0.001°
γ	90°
Cell volume	8104.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.106
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1941
Weighted residual factors for all reflections included in the refinement	0.2255
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179442 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/39.	4333996.cif
99805	2014-02-03	cif/ Adding structures of 4333996 via cif-deposit CGI script.	4333996.cif