Information card for entry 7016047

Structure parameters

• Formula: C63 H51 Fe2 N7 O Se4
• Calculated formula: C63 H51 Fe2 N7 O Se4
• SMILES: [Se]([Fe]([Se]c1ccccc1)([Se]c1ccccc1)[Se]c1ccccc1)c1ccccc1.[Fe]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.N(C)(C)C=O
• Title of publication: Homoleptic 1-D iron selenolate complexes-synthesis, structure, magnetic and thermal behaviour of [Fe(SeR)(2)] (R = Ph, Mes).
• Authors of publication: Eichhöfer, Andreas; Buth, Gernot; Dolci, Francesco; Fink, Karin; Mole, Richard A.; Wood, Paul T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 7022 - 7032
• a: 13.29 ± 0.003 Å
• b: 13.461 ± 0.003 Å
• c: 16.475 ± 0.003 Å
• α: 88.85 ± 0.03°
• β: 77.74 ± 0.03°
• γ: 89.44 ± 0.03°
• Cell volume: 2879.5 ± 1.1 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No