Information card for entry 7000675

Structure parameters

• Formula: C26 H62 Fe N2 P2 Si2
• Calculated formula: C26 H62 Fe N2 P2 Si2
• SMILES: [Fe]12(N(C(C)(C)C)[Si]([N]2(CC[P]1(C(C)C)C(C)C)CCP(C(C)C)C(C)C)(C)C)C[Si](C)(C)C
• Title of publication: Synthesis and characterization of manganese and iron complexes supported by multidentate [N2P2] ligands
• Authors of publication: Chomitz, Wayne A.; Arnold, John
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1714 - 1720
• a: 8.6908 ± 0.0011 Å
• b: 9.9321 ± 0.0013 Å
• c: 21.345 ± 0.003 Å
• α: 96.779 ± 0.002°
• β: 97.816 ± 0.002°
• γ: 104.621 ± 0.002°
• Cell volume: 1743.8 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No