Information card for entry 7035699

Structure parameters

• Formula: C24 H36 N2 P2 S2
• Calculated formula: C24 H36 N2 P2 S2
• SMILES: N1(P(=S)N(P1=S)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and structures of [S[double bond, length as m-dash](H)P(μ-NR)]2, potential building blocks for inorganic phosphorus-sulfur macrocycles.
• Authors of publication: Benson, Callum G. M.; Vasilenko, Vladislav; García-Rodríguez, Raúl; Bond, Andrew D.; González Calera, Silvia; Gade, Lutz H.; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14242 - 14247
• a: 8.3695 ± 0.0019 Å
• b: 10.1458 ± 0.0017 Å
• c: 15.541 ± 0.003 Å
• α: 90°
• β: 101.646 ± 0.007°
• γ: 90°
• Cell volume: 1292.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No