Crystallography Open Database

Information card for entry 4132995

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Coordinates	4132995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C288 H312 Mn24 O96
Calculated formula	C288 H312 Mn24 O96
Title of publication	Oxidation State Distributions Provide Insight into Parameters Directing the Assembly of Metal-Organic Nanocapsules.
Authors of publication	Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Barnes, Charles L.; Atwood, Jerry L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	40
Pages of publication	13022 - 13027
a	42.0383 ± 0.0012 Å
b	42.0383 ± 0.0012 Å
c	42.3916 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	64878 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1634
Residual factor for significantly intense reflections	0.1393
Weighted residual factors for significantly intense reflections	0.3894
Weighted residual factors for all reflections included in the refinement	0.458
Goodness-of-fit parameter for all reflections included in the refinement	2.179
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
242847 (current)	2019-11-26	cif/ Adding structures of 4132995 via cif-deposit CGI script.	4132995.cif