Information card for entry 4344677

Structure parameters

• Formula: C39 H69 Ca N3 O Si2
• Calculated formula: C39 H69 Ca N3 O Si2
• SMILES: [Ca]1(N([Si](C)(C)C)[Si](C)(C)C)([O]2CCCC2)N(C(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.
• Authors of publication: Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1236 - 1244
• a: 10.7194 ± 0.0003 Å
• b: 12.3082 ± 0.0002 Å
• c: 16.2806 ± 0.0005 Å
• α: 89.4044 ± 0.0019°
• β: 88.005 ± 0.003°
• γ: 82.382 ± 0.002°
• Cell volume: 2127.72 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No