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Information card for entry 4109047
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4109047.cif |
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Original paper (by DOI) | HTML |
Common name | Heptakis(2,6-dimethylphenylisocyanido)-tantalum tetrafluoroborate |
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Formula | C63 H63 B F4 N7 Ta |
Calculated formula | C63 H63 B F4 N7 Ta |
Title of publication | Homoleptic Isocyanidemetalates of 4d- and 5d-Transition Metals: [Nb(CNXyl)6]-, [Ta(CNXyl)6]-, and Derivatives Thereof1 |
Authors of publication | Mikhail V. Barybin; William W. Brennessel; Benjamin E. Kucera; Mikhail E. Minyaev; Victor J. Sussman; Victor G. Young; John E. Ellis |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 1141 - 1150 |
a | 11.4367 ± 0.0003 Å |
b | 22.3813 ± 0.0005 Å |
c | 22.7631 ± 0.0006 Å |
α | 90° |
β | 91.538 ± 0.001° |
γ | 90° |
Cell volume | 5824.5 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0792 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.0702 |
Weighted residual factors for all reflections included in the refinement | 0.0793 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4109047.html
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