Crystallography Open Database

Information card for entry 1548042

Preview

Coordinates	1548042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H69 Co N3 O13 Ru2
Calculated formula	C45 H69 Co0.9999 N3 O13 Ru2.0001
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	22.3181 ± 0.0005 Å
b	23.1069 ± 0.0004 Å
c	22.5654 ± 0.0006 Å
α	90°
β	112.263 ± 0.003°
γ	90°
Cell volume	10769.5 ± 0.5 Å³
Cell temperature	150.06 ± 0.14 K
Ambient diffraction temperature	150.06 ± 0.14 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
203167 (current)	2017-11-14	cif/ Adding structures of 1548042 via cif-deposit CGI script.	1548042.cif