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Information card for entry 4327265
Preview
Coordinates | 4327265.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H31 F18 N8 O2 P3 Ru |
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Calculated formula | C21 H31 F18 N8 O2 P3 Ru |
SMILES | [Ru]([n]1ccc(cc1)C#CC#Cc1cc[n+](cc1)C)([n]1ccccc1)([NH3])([NH3])([NH3])[NH3].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=N(=O)C |
Title of publication | Syntheses and Quadratic Optical Nonlinearities of Ruthenium(II) Complexes with Ethynyl-Connected N-Methylpyridinium Electron Acceptors |
Authors of publication | Benjamin J. Coe; Josephine L. Harries; Madeleine Helliwell; Bruce S. Brunschwig; James A. Harris; Inge Asselberghs; Sheng-Ting Hung; Koen Clays; Peter N. Horton; Michael B. Hursthouse |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Pages of publication | 1215 - 1227 |
a | 8.912 ± 0.003 Å |
b | 20.527 ± 0.007 Å |
c | 18.68 ± 0.006 Å |
α | 90° |
β | 92.498 ± 0.006° |
γ | 90° |
Cell volume | 3414 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0993 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1513 |
Weighted residual factors for all reflections included in the refinement | 0.1664 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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