Crystallography Open Database

Information card for entry 1551544

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Coordinates	1551544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C234 H126 Co6 P6 Te8
Calculated formula	C234 H126 Co6 P6 Te8
Title of publication	Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal
Authors of publication	Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy
Journal of publication	Nature Chemistry
Year of publication	2017
Journal volume	9
Pages of publication	1170 - 1174
a	16.9985 ± 0.0004 Å
b	16.9985 ± 0.0004 Å
c	55.684 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	13934.2 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.1076
Residual factor for significantly intense reflections	0.0933
Weighted residual factors for significantly intense reflections	0.2857
Weighted residual factors for all reflections included in the refinement	0.3068
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
216154 (current)	2019-06-20	cif/ Adding structures of 1551544 via cif-deposit CGI script.	1551544.cif