Information card for entry 7037522

Structure parameters

• Formula: C46 H90 Mg2 N8 O4 P4
• Calculated formula: C46 H90 Mg2 N8 O4 P4
• SMILES: C(N1P2[N]3(C(C)(C)C)P(N(C(C)(C)C)[Mg]13([O]1CCCC1)[O]1CCCC1)N2c1ccc(cc1)N1P2N(C(C)(C)C)[Mg]3(N(C(C)(C)C)P1[N]23C(C)(C)C)([O]1CCCC1)[O]1CCCC1)(C)(C)C
• Title of publication: Synthesis and structure of the extended phosphazane ligand [(1,4-C6H4){N(μ-PN(t)Bu)2N(t)Bu}2](4.).
• Authors of publication: Sevilla, Raquel; Less, Robert J.; García-Rodríguez, Raúl; Bond, Andrew D.; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1868 - 1871
• a: 10.4939 ± 0.0004 Å
• b: 17.4459 ± 0.0006 Å
• c: 16.1229 ± 0.0007 Å
• α: 90°
• β: 96.9488 ± 0.0016°
• γ: 90°
• Cell volume: 2930 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No