Information card for entry 7030846

Structure parameters

• Formula: C46 H88 Cl2 Mg2 N4 O2 P2
• Calculated formula: C46 H88 Cl2 Mg2 N4 O2 P2
• SMILES: [Mg]12([N](C(C)C)=C(N1C(C)C)P(C1CCCCC1)C1CCCCC1)([O]1CCCC1)[Cl][Mg]1([N](C(C)C)=C(N1C(C)C)P(C1CCCCC1)C1CCCCC1)([O]1CCCC1)[Cl]2
• 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: 14.3215 ± 0.0009 Å
• b: 11.5567 ± 0.0007 Å
• c: 15.9545 ± 0.0008 Å
• α: 90°
• β: 92.786 ± 0.003°
• γ: 90°
• Cell volume: 2637.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No