Information card for entry 7000676

Structure parameters

• Formula: C44 H104 Mn2 N4 P4 Si2
• Calculated formula: C44 H104 Mn2 N4 P4 Si2
• SMILES: [Mn]12([H][Mn]3([H]2)N(C(C)(C)C)[Si](N(CC[P]3(C(C)C)C(C)C)CCP(C(C)C)C(C)C)(C)C)N(C(C)(C)C)[Si](N(CC[P]1(C(C)C)C(C)C)CCP(C(C)C)C(C)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: 49.385 ± 0.005 Å
• b: 10.9384 ± 0.0011 Å
• c: 22.807 ± 0.002 Å
• α: 90°
• β: 107.88 ± 0.003°
• γ: 90°
• Cell volume: 11725 ± 2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No