Crystallography Open Database

Information card for entry 1559789

Preview

Coordinates	1559789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H535 Ce4 Mo126 N24 Na3 O626
Calculated formula	C43.2 H45.6 Ce3.8 Mo125.834 N21 Na0.85 O515.35
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	32.444 ± 0.003 Å
b	32.749 ± 0.004 Å
c	35.233 ± 0.004 Å
α	104.665 ± 0.006°
β	98.814 ± 0.006°
γ	104.742 ± 0.006°
Cell volume	34063 ± 7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1479
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.2247
Weighted residual factors for all reflections included in the refinement	0.2931
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	1559789.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.	1559789.cif
259885	2020-12-15	cif/ Adding structures of 1559786, 1559787, 1559788, 1559789, 1559790, 1559791 via cif-deposit CGI script.	1559789.cif