Crystallography Open Database

Information card for entry 4131594

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Coordinates	4131594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H128 Co12 Mo6 N4 O19 P8 Se16
Calculated formula	C64 H128 Co12 Mo6 N4 O19 P8 Se16
Title of publication	Weaving Nanoscale Cloth through Electrostatic Templating.
Authors of publication	Champsaur, Anouck M.; Mézière, Cécile; Allain, Magali; Paley, Daniel W.; Steigerwald, Michael L.; Nuckolls, Colin; Batail, Patrick
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	34
Pages of publication	11718 - 11721
a	21.4506 ± 0.0017 Å
b	21.4506 ± 0.0017 Å
c	28.554 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	13139 ± 2 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	8
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.1906
Residual factor for significantly intense reflections	0.0997
Weighted residual factors for significantly intense reflections	0.24
Weighted residual factors for all reflections included in the refinement	0.3005
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241771 (current)	2019-11-25	cif/ Adding structures of 4131594 via cif-deposit CGI script.	4131594.cif