Information card for entry 4312454

Structure parameters

• Formula: C23 H55 Cr N4 Na O2 Si3
• Calculated formula: C23 H55 Cr N4 Na O2 Si3
• SMILES: C1C[N]23CC[N]([Cr]3([N]31[Si](C)(C)C)N(CC2)[Si](C)(C)C)([Si](C)(C)C)[Na]3([O]1CCCC1)[O]1CCCC1
• Title of publication: [Na(THF)2Cr(N3N)]: The First Trigonal Monopyramidal Chromium(II) Complex
• Authors of publication: Alexander C. Filippou; Sven Schneider; Gregor Schnakenburg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6974 - 6976
• a: 10.4641 ± 0.0019 Å
• b: 11.381 ± 0.003 Å
• c: 15.994 ± 0.003 Å
• α: 87.74 ± 0.03°
• β: 86.56 ± 0.02°
• γ: 64.3 ± 0.02°
• Cell volume: 1713 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0532
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No