Information card for entry 7037519

Structure parameters

• Formula: C30 H62 N8 P4
• Calculated formula: C30 H62 N8 P4
• SMILES: C(NP1N(C(C)(C)C)P(NC(C)(C)C)N1c1ccc(cc1)N1P(NC(C)(C)C)N(C(C)(C)C)P1NC(C)(C)C)(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: 6.0734 ± 0.0009 Å
• b: 12.3908 ± 0.0014 Å
• c: 14.032 ± 0.002 Å
• α: 106.92 ± 0.004°
• β: 98.179 ± 0.006°
• γ: 100.308 ± 0.01°
• Cell volume: 972.5 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No