Crystallography Open Database

Information card for entry 4346722

Preview

Coordinates	4346722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101.53 H116.06 Cl5.06 F9 Mn N7 O11 S3
Calculated formula	C101.528 H116.056 Cl5.056 F9 Mn N7 O11 S3
Title of publication	Photocatalytic Oxygenation of Substrates by Dioxygen with Protonated Manganese(III) Corrolazine.
Authors of publication	Jung, Jieun; Neu, Heather M.; Leeladee, Pannee; Siegler, Maxime A.; Ohkubo, Kei; Goldberg, David P.; Fukuzumi, Shunichi
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	7
Pages of publication	3218 - 3228
a	18.3393 ± 0.0004 Å
b	18.9149 ± 0.0003 Å
c	21.2275 ± 0.0003 Å
α	91.1721 ± 0.0013°
β	114.727 ± 0.0017°
γ	118.837 ± 0.0019°
Cell volume	5625.8 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
231936 (current)	2019-11-23	cif/ Adding structures of 4346722 via cif-deposit CGI script.	4346722.cif