Information card for entry 1573702

Structure parameters

• Formula: C96 H113 Mg2 N4 Ni O2 P2
• Calculated formula: C96 H112 Mg2 N4 Ni O2 P2
• SMILES: [Ni]123([Mg]4([N](c5c(C(c6ccccc6)c6ccccc6)cc(cc5C(c5ccccc5)c5ccccc5)C(C)C)=C(N4P(C(C)C)C(C)C)C(C)(C)C)[CH2]2[CH2]3[Mg]21[N](=C(N2P(C(C)C)C(C)C)C(C)(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Synthesis and characterization of heterotrimetallic Mg-Ni-Mg complexes with amidinato ligands.
• Authors of publication: Zhang, Rongping; Cai, Yanping; Xu, Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3437 - 3443
• a: 15.0759 ± 0.0014 Å
• b: 18.5965 ± 0.0017 Å
• c: 20.2198 ± 0.0016 Å
• α: 110.227 ± 0.003°
• β: 101.922 ± 0.004°
• γ: 108.78 ± 0.004°
• Cell volume: 4702.6 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0807
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No