Information card for entry 7011351

Structure parameters

• Chemical name: bis(cyclopentadienyl)bis(iododimethylsilyl)hydrido niobium(V)
• Formula: C14 H23 I2 Nb Si2
• Calculated formula: C16.25 H23 I2 Nb Si2
• SMILES: [cH]12[cH]3[NbH]4567891([cH]1[cH]8[cH]9[cH]5[cH]41)([Si](C)(C)I)([cH]3[cH]6[cH]27)[Si](C)(C)I.CCOCC
• Title of publication: Niobocene hydrides with functionalised silyl ligands. Tuning of interligand hypervalent interactions (IHI) M‒H →Si‒X
• Authors of publication: Nikonov, Georgii I.; Kuzmina, Lyudmila G.; Howard, Judith A. K.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 3037
• a: 18.996 ± 0.003 Å
• b: 18.996 ± 0.003 Å
• c: 13.031 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4702.2 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.1758
• Weighted residual factors for significantly intense reflections: 0.1658
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No