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Information card for entry 7011449
Preview
Coordinates | 7011449.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H10 B Br9 Cl2 Mo N6 O2 |
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Calculated formula | C15 H8 B Br9 Mo N6 O2 |
SMILES | [Mo]1234([n]5n([BH](n6[n]1c(Br)c(Br)c6Br)n1[n]2c(Br)c(Br)c1Br)c(Br)c(Br)c5Br)([CH2]=[C]3(C4)C)(C#[O])C#[O] |
Title of publication | Novel scorpionate ligands devoid of C‒H bonds: BpBr3 and TpBr3 |
Authors of publication | Rheingold, Arnold L.; Liable-Sands, Louise M.; Incarvito, Christopher L.; Trofimenko, Swiatoslaw |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 11 |
Pages of publication | 2297 |
a | 19.344 ± 0.0011 Å |
b | 20.8714 ± 0.0012 Å |
c | 16.7739 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6772.2 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.07 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.132 |
Weighted residual factors for all reflections included in the refinement | 0.142 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
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/7011449.html
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