Information card for entry 4312055

Structure parameters

• Formula: C36 H42 Cl3 Ge N2
• Calculated formula: C36 H42 Cl3 Ge N2
• SMILES: [Ge](Cl)(Cl)[Cl-].N(C1=C(Nc2c(cccc2C(C)C)C(C)C)c2c3c1cccc3ccc2)c1c(cccc1C(C)C)C(C)C
• Title of publication: Divalent Germanium Compound with a Radical-Anionic Ligand: Molecular Structures of (dpp-BIAN).-GeCl and Its Hydrochloration Products [(dpp-BIAN)(H)2].+[GeCl3]- and [{(dpp-BIAN)(H)2.+}2(Cl-)]+[GeCl3]- (dpp-BIAN = 1,2-Bis{(2,6-diisopropylphenyl)imino}acenaphthene)
• Authors of publication: Igor L. Fedushkin; Natalie M. Khvoinova; Andrey Yu. Baurin; Georgii K. Fukin; Vladimir K. Cherkasov; Mikhail P. Bubnov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7807 - 7815
• a: 11.131 ± 0.003 Å
• b: 13.696 ± 0.002 Å
• c: 22.431 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3419.6 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No