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Information card for entry 4068421
Preview
Coordinates | 4068421.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H36 Hf O2 P2 Pd |
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Calculated formula | C36 H36 Hf O2 P2 Pd |
SMILES | [Pd]1([P](O[Hf]23456789(O[P]1(c1ccccc1)c1ccccc1)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]9[cH]8[cH]7[cH]61)(c1ccccc1)c1ccccc1)(C)C |
Title of publication | Bi- and Trinuclear Complexes of Group 4 Metal and Palladium Bridged by OPPh2Groups: Synthesis and High Catalytic Activities in Double Hydrophosphinylation of 1-Octyne |
Authors of publication | Mizuta, Tsutomu; Miyaji, Chihiro; Katayama, Takafumi; Ushio, Jun-ichi; Kubo, Kazuyuki; Miyoshi, Katsuhiko |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 2 |
Pages of publication | 539 |
a | 19.899 ± 0.0001 Å |
b | 10.263 ± 0.0001 Å |
c | 32.422 ± 0.0001 Å |
α | 90° |
β | 93.088 ± 0.001° |
γ | 90° |
Cell volume | 6611.72 ± 0.08 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0336 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0793 |
Weighted residual factors for all reflections included in the refinement | 0.0807 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71069 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/4068421.html
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Users of the data should acknowledge the original authors of the
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