Information card for entry 4310445

Structure parameters

• Common name: compound_5
• Formula: C21 H36 Fe2 I4 N11 O0.75 P3
• Calculated formula: C18 H30 Fe2 I4 N11 P3
• SMILES: I[Fe]1(I)[N]2=P3([N]([Fe](I)(I)[n]4c(N3)cccc4)=P3(N=P42N(CCN4C)C)N(CCN3C)C)Nc2[n]1cccc2
• 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: 14.114 ± 0.004 Å
• b: 16.681 ± 0.005 Å
• c: 16.772 ± 0.005 Å
• α: 90°
• β: 91.431 ± 0.006°
• γ: 90°
• Cell volume: 3947 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1006
• 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