Information card for entry 4323423

Structure parameters

• Formula: C25 H25 B Fe Mo N6 O2
• Calculated formula: C25 H25 B Fe Mo N6 O2
• SMILES: [Mo]1234([n]5n(ccc5)[B](n5[n]1ccc5)(n1[n]2ccc1)[c]12[Fe]56789%10%11([cH]1[cH]5[cH]6[cH]27)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(C#[O])(C#[O])[CH2]=[C]3(C4)C
• Title of publication: Ferrocene-Based Tris(1-pyrazolyl)borates: A New Approach to Heterooligometallic Complexes and Organometallic Polymers Containing Transition Metal Atoms in the Backbone
• Authors of publication: Fabrizia Fabrizi de Biani; Frieder Jäkle; Michael Spiegler; Matthias Wagner; Piero Zanello
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2103 - 2111
• a: 8.756 ± 0.001 Å
• b: 12.154 ± 0.001 Å
• c: 12.927 ± 0.001 Å
• α: 105.26 ± 0.01°
• β: 102.29 ± 0.01°
• γ: 105.09 ± 0.01°
• Cell volume: 1221.6 ± 0.2 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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: 0.0308
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.0869
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No