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Information card for entry 4323562
Preview
Coordinates | 4323562.cif |
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Original paper (by DOI) | HTML |
Common name | Salpen{B(OMe)2}2 |
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Formula | C25 H36 B2 N2 O6 |
Calculated formula | C25 H36 B2 N2 O6 |
SMILES | [B]1(OCC)(OCC)Oc2ccccc2C=[N]1CCC[N]1[B](OCC)(OCC)Oc2c(C=1)cccc2 |
Title of publication | Bimetallic Borate Derivatives of the Salen Ligands |
Authors of publication | Pingrong Wei; David A. Atwood |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 4060 - 4065 |
a | 8.6718 ± 0.0009 Å |
b | 13.2311 ± 0.0013 Å |
c | 13.3266 ± 0.0014 Å |
α | 109.315 ± 0.002° |
β | 98.544 ± 0.002° |
γ | 104.561 ± 0.002° |
Cell volume | 1351 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1064 |
Residual factor for significantly intense reflections | 0.0719 |
Weighted residual factors for all reflections | 0.1556 |
Weighted residual factors for significantly intense reflections | 0.1346 |
Goodness-of-fit parameter for all reflections | 1.145 |
Goodness-of-fit parameter for significantly intense reflections | 1.211 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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