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Information card for entry 7027044
Preview
Coordinates | 7027044.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H130 B2 Mo2 N12 O10 Sm2 |
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Calculated formula | C82 H130 B2 Mo2 N12 O10 Sm2 |
SMILES | C1#[O][Sm]23([n]4n([BH](n5[n]2c(cc5C)C(C)(C)C)n2[n]3c(cc2C)C(C)(C)C)c(cc4C(C)(C)C)C)([O]#C[Mo]2345(C#[O])(C#[O][Sm]67([n]8n([BH](n9[n]6c(cc9C)C(C)(C)C)n6[n]7c(cc6C)C(C)(C)C)c(cc8C(C)(C)C)C)([O]#C[Mo]67891([c]1([cH]6[cH]7[cH]8[cH]91)C)C#[O])[O]1CCCC1)[c]1([cH]2[cH]3[cH]4[cH]51)C)[O]1CCCC1.O(CC)CC.O(CC)CC |
Title of publication | Isocarbonyl complexes of divalent samarium and ytterbium. The molecular structures of [{Ln(TptBu,Me)(THF)(μ-CO)2Mo(η-C5H4Me)(CO)}2] (Ln = Sm, Yb) |
Authors of publication | Hillier, Anna C.; Sella, Andrea; Elsegood, Mark R. J. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 22 |
Pages of publication | 3871 |
a | 13.6825 ± 0.0005 Å |
b | 13.7204 ± 0.0005 Å |
c | 15.1643 ± 0.0006 Å |
α | 63.455 ± 0.002° |
β | 67.914 ± 0.002° |
γ | 88.812 ± 0.002° |
Cell volume | 2322.26 ± 0.16 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0305 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.0613 |
Weighted residual factors for all reflections included in the refinement | 0.0641 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7027044.html
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