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Information card for entry 4111975
Preview
Coordinates | 4111975.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H33 Cu I Mo O4 P Ru S3 |
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Calculated formula | C18 H33 Cu I Mo O4 P Ru S3 |
SMILES | I[Cu]12[Mo]3([S][Ru]45678([S]13)([P](OCC)(OCC)OCC)[c]1([c]4([c]5([c]6([c]7([c]81C)C)C)C)C)C)(S2)=O |
Title of publication | Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center |
Authors of publication | Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 14366 - 14374 |
a | 16.036 ± 0.009 Å |
b | 11.237 ± 0.006 Å |
c | 15.621 ± 0.009 Å |
α | 90° |
β | 93.755 ± 0.009° |
γ | 90° |
Cell volume | 2809 ± 3 Å3 |
Cell temperature | 223.2 K |
Number of distinct elements | 9 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for significantly intense reflections | 0.0567 |
Weighted residual factors for all reflections included in the refinement | 0.1447 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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