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Information card for entry 4074959
Preview
Coordinates | 4074959.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1-(5-phenyl-2,2'-bipyridine-6-yl)-2-phenyl-1,2-dicarba-nido-undecaborane |
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Formula | C24 H27 B9 N2 |
Calculated formula | C24 H27 B9 N2 |
SMILES | [C]123([C]45([BH]67[BH]89%10[H][BH]%101%11[BH]1%129[BH]978[BH]756[BH]524[BH]31%11[BH]%12975)c1[nH+]c(ccc1c1ccccc1)c1ncccc1)c1ccccc1 |
Title of publication | Carborane-Functionalized Polyaza Aromatic Ligands: Synthesis, Crystal Structure, and a Copper(II) Complex |
Authors of publication | Prokhorov, Anton M.; Kozhevnikov, Dmitry N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 12 |
Pages of publication | 2972 |
a | 10.5741 ± 0.0018 Å |
b | 15.12 ± 0.002 Å |
c | 14.707 ± 0.002 Å |
α | 90° |
β | 96.781 ± 0.004° |
γ | 90° |
Cell volume | 2334.9 ± 0.6 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1972 |
Residual factor for significantly intense reflections | 0.0629 |
Weighted residual factors for significantly intense reflections | 0.0768 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.841 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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