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Information card for entry 4327932
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Coordinates | 4327932.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Sc2C2@C80(C2v)/Co(OEP) |
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Formula | C120 H46 Cl6 Co N4 Sc2 |
Calculated formula | C120 H46 Cl6 Co N4 Sc2 |
Title of publication | X-ray Structures of Sc2C2@C2n (n= 40-42): In-Depth Understanding of the Core-Shell Interplay in Carbide Cluster Metallofullerenes |
Authors of publication | Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Makoto Hachiya; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 746 - 750 |
a | 25.2029 ± 0.0005 Å |
b | 15.2891 ± 0.0003 Å |
c | 19.2077 ± 0.0004 Å |
α | 90° |
β | 93.553 ± 0.001° |
γ | 90° |
Cell volume | 7387.1 ± 0.3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0645 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.149 |
Weighted residual factors for all reflections included in the refinement | 0.1612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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