Information card for entry 7004959

Structure parameters

• Formula: C60 H64 B N4 O6 P2 Re
• Calculated formula: C60 H64 B N4 O6 P2 Re
• SMILES: [Re]1([N](=NN=[N]1Cc1ccccc1)Cc1ccccc1)([P](OCC)(OCC)c1ccccc1)([P](OCC)(OCC)c1ccccc1)(C#[O])C#[O].c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reactions of manganese and rhenium complexes with organic azides: preparation of tetraazabutadiene derivatives.
• Authors of publication: Albertin, Gabriele; Antoniutti, Stefano; Bacchi, Alessia; Celebrin, Alessandro; Pelizzi, Giancarlo; Zanardo, Gianluigi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 661 - 668
• a: 10.8658 ± 0.0007 Å
• b: 16.388 ± 0.001 Å
• c: 17.404 ± 0.001 Å
• α: 79.556 ± 0.001°
• β: 78.603 ± 0.001°
• γ: 82.235 ± 0.001°
• Cell volume: 2971.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.086
• 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: No
• Has Fobs: No