Information card for entry 4310444

Structure parameters

• Common name: compound_4
• Formula: C25 H31 Cl5 N11 O6 P3 Re2
• Calculated formula: C25 H31 Cl5 N11 O6 P3 Re2
• SMILES: [Re]1(Cl)([N]2=P3([N]([Re](Cl)([n]4c(N3)cccc4)(C#[O])(C#[O])C#[O])=P3(N=P42N(CCN4C)C)N(CCN3C)C)Nc2[n]1cccc2)(C#[O])(C#[O])C#[O].ClC(Cl)Cl
• Title of publication: Generation of Spirotricyclic Site-Differentiated Cyclotriphosphazenes: A Solvent-Free Approach to Multidentate N/O Donor Ligand Systems
• Authors of publication: Michael Harmjanz; Ingmar M. Piglosiewicz; Brian L. Scott; Carol J. Burns
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 642 - 650
• a: 11.225 ± 0.003 Å
• b: 11.484 ± 0.003 Å
• c: 17.683 ± 0.004 Å
• α: 80.303 ± 0.004°
• β: 85.976 ± 0.004°
• γ: 62.316 ± 0.004°
• Cell volume: 1989.6 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 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: 0.054
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No