Information card for entry 7030844

Structure parameters

• Formula: C58 H80 Cl2 Mg2 N4 O2 P2
• Calculated formula: C58 H80 Cl2 Mg2 N4 O2 P2
• SMILES: [Mg]12([O]3CCCC3)([N](=C(P(c3ccccc3)c3ccccc3)N2C2CCCCC2)C2CCCCC2)[Cl][Mg]2([O]3CCCC3)([N](=C(P(c3ccccc3)c3ccccc3)N2C2CCCCC2)C2CCCCC2)[Cl]1
• Title of publication: Catalytic bond forming reactions promoted by amidinate, guanidinate and phosphaguanidinate compounds of magnesium.
• Authors of publication: Schwamm, Ryan J.; Day, Benjamin M.; Mansfield, Natalie E.; Knowelden, William; Hitchcock, Peter B.; Coles, Martyn P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14302 - 14314
• a: 8.9301 ± 0.0002 Å
• b: 11.0289 ± 0.0003 Å
• c: 16.2637 ± 0.0005 Å
• α: 76.778 ± 0.002°
• β: 84.155 ± 0.002°
• γ: 68.586 ± 0.002°
• Cell volume: 1451.39 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No