Crystallography Open Database

Information card for entry 1548050

Preview

Coordinates	1548050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H161 Cr7.04 F8 N4 Ni0.96 O32
Calculated formula	C97 H161 Cr7.04 F8 N4 Ni0.96 O32
Title of publication	A modular design of molecular qubits to implement universal quantum gates
Authors of publication	Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
Journal of publication	Nature Communications
Year of publication	2016
Journal volume	7
Pages of publication	11377
a	16.7978 ± 0.0004 Å
b	31.2594 ± 0.0011 Å
c	24.9128 ± 0.0009 Å
α	90°
β	103.209 ± 0.003°
γ	90°
Cell volume	12735.3 ± 0.7 Å³
Cell temperature	150.06 ± 0.14 K
Ambient diffraction temperature	150.06 ± 0.14 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
203175 (current)	2017-11-14	cif/ Adding structures of 1548050 via cif-deposit CGI script.	1548050.cif