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Information card for entry 7015054
Preview
Coordinates | 7015054.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H37 B Mo N2 O2 |
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Calculated formula | C27 H37 B Mo N2 O2 |
SMILES | [Mo]123456(C#[O])(C#[O])(C[C]1(=[CH2]2)C)[c]1([cH]3[cH]4[c]25[c]61cccc2)CCn1c(n(cc1)C)=[B](CC)(CC)CC |
Title of publication | Indenyl-functionalised triethylborane adduct of N-heterocyclic carbene: stepwise coordination of indenyl and NHC ligands toward molybdenum fragment. |
Authors of publication | Takaki, Daichi; Okayama, Tetsuya; Shuto, Hiroshi; Matsumoto, Sawako; Yamaguchi, Yoshitaka; Matsumoto, Shinya |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 7 |
Pages of publication | 1445 - 1447 |
a | 6.8287 ± 0.0015 Å |
b | 26.711 ± 0.005 Å |
c | 14.68 ± 0.003 Å |
α | 90° |
β | 97.025 ± 0.005° |
γ | 90° |
Cell volume | 2657.6 ± 0.9 Å3 |
Cell temperature | 296 ± 1 K |
Ambient diffraction temperature | 296 ± 1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for all reflections included in the refinement | 0.113 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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