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Information card for entry 4089308
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Coordinates | 4089308.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 3Me2d |
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Formula | C28 H38 B N7 O2 Pd |
Calculated formula | C28 H38 B N7 O2 Pd |
SMILES | [Pd]1(OC2=CC(=O)CC(C2)(C)C)([n]2n(c(cc2C)C)[BH](n2[n]1c(cc2C)C)n1nc(cc1C)C)[n]1ccccc1 |
Title of publication | N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds |
Authors of publication | Kujime, Masato; Hikichi, Shiro; Akita, Munetaka |
Journal of publication | Organometallics |
Year of publication | 2001 |
Journal volume | 20 |
Journal issue | 19 |
Pages of publication | 4049 |
a | 17.855 ± 0.002 Å |
b | 19.375 ± 0.004 Å |
c | 17.092 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5913 ± 2 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1186 |
Residual factor for significantly intense reflections | 0.0663 |
Weighted residual factors for significantly intense reflections | 0.1855 |
Weighted residual factors for all reflections included in the refinement | 0.2059 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71069 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/4089308.html
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