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Information card for entry 1548047
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Coordinates | 1548047.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C189 H322 Co Cr14 F16 N8 Ni2 O65 S2 |
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Calculated formula | C189 H322 Co Cr14 F16 N8 Ni2 O65 S2 |
SMILES | [Ni]12345[F][Cr]67([F][Cr]89([F][Cr]%10%11([F][Cr]%12%13([F][Cr]%14%15([F][Cr]%16%17([F][Cr]([F]1)([O]=C(O%16)C(C)(C)C)(OC(=[O]%17)C(C)(C)C)([O]=C(O3)C(C)(C)C)OC(=[O]5)C(C)(C)C)([O]=C(O%14)C(C)(C)C)OC(=[O]%15)C(C)(C)C)([O]=C(O%12)C(C)(C)C)OC(=[O]%13)C(C)(C)C)([O]=C(O%10)C(C)(C)C)OC(=[O]%11)C(C)(C)C)([O]=C(O8)C(C)(C)C)OC(=[O]9)C(C)(C)C)([O]=C(O6)C(C)(C)C)OC(=[O]7)C(C)(C)C)([O]=C(O2)C(C)(C)C)OC(=[O]4)c1cc2[n]3[Co]([n]4c2cccc4)([n]2c(c3c1)cccc2)([n]1ccc(C2=[O][Cr]3456[F][Cr]78([F][Cr]9%10([F][Cr]%11%12([F][Cr]%13%14([F][Cr]%15%16([F][Cr]%17%18([F][Cr]([F]3)([O]=C(O%17)C(C)(C)C)(OC(=[O]%18)C(C)(C)C)([O]=C(O5)C(C)(C)C)OC(=[O]6)C(C)(C)C)([O]=C(O%15)C(C)(C)C)OC(=[O]%16)C(C)(C)C)([O]=C(O%13)C(C)(C)C)OC(=[O]%14)C(C)(C)C)([O]=C(O%11)C(C)(C)C)OC(=[O]%12)C(C)(C)C)([O]=C(O9)C(C)(C)C)OC(=[O]%10)C(C)(C)C)([O]=C(O7)C(C)(C)C)OC(=[O]8)C(C)(C)C)([O]=C(O4)C(C)(C)C)O2)cc1)(N=C=S)N=C=S.O=C(C)C.[NH2+](CCC)CCC.[NH2+](CCC)CCC |
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 | 16.6948 ± 0.0003 Å |
b | 29.8156 ± 0.0006 Å |
c | 31.7036 ± 0.0006 Å |
α | 70.4222 ± 0.0018° |
β | 83.8761 ± 0.0016° |
γ | 77.9945 ± 0.0018° |
Cell volume | 14531.7 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0984 |
Residual factor for significantly intense reflections | 0.0697 |
Weighted residual factors for significantly intense reflections | 0.1816 |
Weighted residual factors for all reflections included in the refinement | 0.1984 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1548047.html
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