Information card for entry 7009332

Structure parameters

• Formula: C14 H23 Cl2 Nb Si2
• Calculated formula: C14 H23 Cl2 Nb Si2
• SMILES: [cH]12[cH]3[NbH]4567892([cH]1[cH]6[cH]37)([cH]1[cH]8[cH]9[cH]5[cH]41)([Si](C)(C)Cl)[Si](C)(C)Cl
• Title of publication: Combined single crystal neutron diffraction and solution NMR relaxation studies of mono- and bis(silyl) substituted niobocene hydrides with nonclassical interligand interactions
• Authors of publication: Bakhmutov, Vladimir I.; Howard, Judith A. K.; Keen, David A.; Kuzmina, Lyudmila G.; Leech, Michael A.; Nikonov, Georgii I.; Vorontsov, Eugenii V.; Wilson, Chick C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 1631
• a: 16.584 ± 0.003 Å
• b: 13.214 ± 0.003 Å
• c: 8.419 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1844.9 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.098
• Goodness-of-fit parameter for significantly intense reflections: 1.185
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No