Crystallography Open Database

Information card for entry 1548046

Preview

Coordinates	1548046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72
Calculated formula	C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72
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	56.308 ± 0.003 Å
b	16.4647 ± 0.0003 Å
c	30.7417 ± 0.0009 Å
α	90°
β	93.238 ± 0.003°
γ	90°
Cell volume	28455 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1752
Residual factor for significantly intense reflections	0.1272
Weighted residual factors for significantly intense reflections	0.3574
Weighted residual factors for all reflections included in the refinement	0.422
Goodness-of-fit parameter for all reflections included in the refinement	1.301
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
203171 (current)	2017-11-14	cif/ Adding structures of 1548046 via cif-deposit CGI script.	1548046.cif