Information card for entry 7007003

Structure parameters

• Formula: C38 H41 Mo N O8 P2
• Calculated formula: C38 H41 Mo N O8 P2
• SMILES: [Mo]1([P](N(CC)[P]1(Oc1c(C)cccc1C)Oc1c(C)cccc1C)(Oc1c(C)cccc1C)Oc1c(C)cccc1C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Sterically encumbered acyclic diphosphazanes: synthesis, conformations and coordination behavior.
• Authors of publication: Prabusankar, Ganesan; Palanisami, Nallasamy; Murugavel, Ramaswamy; Butcher, Ray J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 17
• Pages of publication: 2140 - 2146
• a: 12.4493 ± 0.0008 Å
• b: 14.5027 ± 0.001 Å
• c: 21.6089 ± 0.0015 Å
• α: 90°
• β: 102.087 ± 0.001°
• γ: 90°
• Cell volume: 3815 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No