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Information card for entry 7025332
Preview
Coordinates | 7025332.cif |
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Original paper (by DOI) | HTML |
Formula | C4 H14 B5 N O11 |
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Calculated formula | C4 H14 B5 N O11 |
SMILES | [B]12(OB(OB(O1)O)O)OB(OB(O2)O)O.C1C[NH2+]CCO1 |
Title of publication | Structural (XRD) and thermal (DSC, TGA) and BET analysis of materials derived from non-metal cation pentaborate salts. |
Authors of publication | Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Knox, David A.; Timmis, James L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 16 |
Pages of publication | 3944 - 3951 |
a | 8.7992 ± 0.0003 Å |
b | 9.0108 ± 0.0002 Å |
c | 9.3873 ± 0.0003 Å |
α | 73.957 ± 0.002° |
β | 78.099 ± 0.002° |
γ | 63.845 ± 0.002° |
Cell volume | 638.99 ± 0.04 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0457 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0817 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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