Crystallography Open Database

Information card for entry 1548049

Preview

Coordinates	1548049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.5 H29 B2 Cl Co F8 N6 O4
Calculated formula	C44.5 H29 B2 Cl Co F8 N6 O4
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	9.2332 ± 0.0006 Å
b	12.2853 ± 0.0009 Å
c	19.3386 ± 0.0011 Å
α	85.098 ± 0.005°
β	76.757 ± 0.005°
γ	88.79 ± 0.005°
Cell volume	2127.5 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1357
Residual factor for significantly intense reflections	0.1045
Weighted residual factors for significantly intense reflections	0.2864
Weighted residual factors for all reflections included in the refinement	0.3166
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203174 (current)	2017-11-14	cif/ Adding structures of 1548049 via cif-deposit CGI script.	1548049.cif