Crystallography Open Database

Information card for entry 1559791

Preview

Coordinates	1559791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H535 Ce5 Mo122 N20 Na2 O616
Calculated formula	C35 H48 Ce5 Mo122 N17.5 O507.25
Title of publication	Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.
Authors of publication	She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy
Journal of publication	Chemical science
Year of publication	2020
Journal volume	12
Journal issue	7
Pages of publication	2427 - 2432
a	38.1062 ± 0.0017 Å
b	38.2685 ± 0.0016 Å
c	46.9136 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	68413 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.1927
Weighted residual factors for all reflections included in the refinement	0.2314
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
267090 (current)	2021-07-05	cif/ Updating files of 1559786, 1559787, 1559788, 1559789, 1559790, 1559791 Original log message: Adding full bibliography for 1559786--1559791.cif.	1559791.cif
262548	2021-03-05	cif/ Updating files of 1559786, 1559787, 1559788, 1559789, 1559790, 1559791 Original log message: Adding full bibliography for 1559786--1559791.cif.	1559791.cif
259885	2020-12-15	cif/ Adding structures of 1559786, 1559787, 1559788, 1559789, 1559790, 1559791 via cif-deposit CGI script.	1559791.cif