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Information card for entry 7007043
Preview
Coordinates | 7007043.cif |
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Original paper (by DOI) | HTML |
Common name | Barium bishydroxytris(methimazolyl)borate biswater |
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Formula | C12 H18 B Ba0.5 N6 O S3 |
Calculated formula | C12 H18 B Ba0.5 N6 O S3 |
Title of publication | Coordinative flexibility in hydrotris(methimazolyl)borate divalent metal compounds. |
Authors of publication | Cetin, Anil; Ziegler, Christopher J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 8 |
Pages of publication | 1006 - 1008 |
a | 7.5055 ± 0.0006 Å |
b | 10.5872 ± 0.0008 Å |
c | 12.5053 ± 0.0009 Å |
α | 81.158 ± 0.001° |
β | 80.512 ± 0.001° |
γ | 69.622 ± 0.001° |
Cell volume | 913.77 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0338 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0714 |
Weighted residual factors for all reflections included in the refinement | 0.0729 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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