Information card for entry 7027440

Structure parameters

• Formula: C52 H61 B Fe P4
• Calculated formula: C52 H61 B Fe P4
• SMILES: [Fe]12345([P](C)(C)CC[P]1(CC[P]2(C)C)CC[P]3(C)C)[C](#[C]4/C5=C\c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Butenynyl complexes of iron(II) containing the tripodal tetraphosphine ligand P(CH2CH2PMe2)3
• Authors of publication: Field, Leslie D.; Messerle, Barbara A.; Smernik, Ronald J.; Hambley, Trevor W.; Turner, Peter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2557
• a: 13.459 ± 0.004 Å
• b: 13.517 ± 0.006 Å
• c: 13.843 ± 0.006 Å
• α: 76.75 ± 0.04°
• β: 74.45 ± 0.04°
• γ: 78.76 ± 0.04°
• Cell volume: 2337.6 ± 1.7 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0433
• Goodness-of-fit parameter for all reflections: 1.546
• Goodness-of-fit parameter for significantly intense reflections: 1.546
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No