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Information card for entry 7117485
Preview
Coordinates | 7117485.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H60 Cr2 Nb2 O30 S10 |
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Calculated formula | C27.952 H59.856 Cr2 Nb2 O30 S9.976 |
Title of publication | Relatively strong intramolecular antiferromagnetic coupling in a neutral CrIII2NbV2 heterobimetallic molecular square |
Authors of publication | Willian X. C. Oliveira; Cynthia L. M. Pereira; Carlos B. Pinheiro; Joan Cano; Francesc Lloret; Miguel Julve |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 11806 |
a | 11.4285 ± 0.0007 Å |
b | 12.1741 ± 0.0009 Å |
c | 12.185 ± 0.001 Å |
α | 98.122 ± 0.006° |
β | 116.838 ± 0.007° |
γ | 94.962 ± 0.005° |
Cell volume | 1475.7 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0765 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1363 |
Weighted residual factors for all reflections included in the refinement | 0.1532 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7117485.html
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structural data.