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Information card for entry 4325003
Preview
Coordinates | 4325003.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H38 B10 N2 O4 |
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Calculated formula | C15 H38 B10 N2 O5 |
SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%125[BH]5%13%14[BH]%151([BH]1%162[BH]25%15[BH]81([BH]9%11%132)[C]47%10%16C(=O)N[C@H](CO)C(C)C)[C]36%12%14C(=O)N[C@H](CO)C(C)C.CO |
Title of publication | m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis |
Authors of publication | Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4149 - 4161 |
a | 6.7826 ± 0.001 Å |
b | 17.136 ± 0.003 Å |
c | 21.403 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2487.6 ± 0.7 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
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 | 0.09 |
Residual factor for significantly intense reflections | 0.0787 |
Weighted residual factors for significantly intense reflections | 0.2159 |
Weighted residual factors for all reflections included in the refinement | 0.2239 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
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/4325003.html
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