Information card for entry 2103787

Structure parameters

• Chemical name: bis(mu!2$-bis(Diphenylphosphino)methane)-(mu!2$-nitrato)-dipyridyl-di-copper(i) nitrate methanol solvate
• Formula: C61 H58 Cu2 N4 O7 P4
• Calculated formula: C60 H54 Cu2 N6 O6 P4
• SMILES: C1[P](c2ccccc2)(c2ccccc2)[Cu]2([n]3ccccc3)[P](C[P](c3ccccc3)(c3ccccc3)[Cu]([n]3ccccc3)(ON(=[O]2)=O)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].CO
• Title of publication: 22 Space-group changes
• Authors of publication: Clemente, Dore Augusto; Marzotto, Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 43 - 50
• a: 21.719 ± 0.002 Å
• b: 16.545 ± 0.002 Å
• c: 15.97 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5738.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0115
• Residual factor for significantly intense reflections: 0.0112
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.341
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No