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Information card for entry 7011244
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7011244.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H49 Cl4 Ga3 O13 Rh6 |
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Calculated formula | C45 H49 Cl4 Ga3 O13 Rh6 |
SMILES | [Rh]12345([Rh]6789([Rh]%10%111([Rh]1%12%137([Rh]726([Rh]3%101([Ga]123647[c]4([c]1([c]2([c]3([c]64C)C)C)C)C)([Ga]1234%11%13[c]6([c]1([c]2([c]3([c]46C)C)C)C)C)(C#[O])C#[O])([Ga]12348%12[c]5([c]1([c]2([c]4([c]35C)C)C)C)C)(C#[O])C#[O])(C#[O])C#[O])([C]59=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].ClCCl.ClCCl |
Title of publication | Unusual selective substitution of triply bridging carbonyl ligands for GaCp* in Rh6(CO)16. Synthesis and structural characterization of the Rh6(μ3-CO)4 −x(μ3-GaCp*)x(CO)12 clusters, x = 1‒4 |
Authors of publication | Elena V. Grachova; Peter Jutzi; Beate Neumann; Lars O. Schebaum; Hans-Georg Stammler; Sergey P. Tunik |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 3 |
Pages of publication | 302 - 304 |
a | 12.434 ± 0.0001 Å |
b | 17.492 ± 0.0002 Å |
c | 24.978 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5432.6 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0438 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0576 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7011244.html
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