Information card for entry 7705148

Structure parameters

• Formula: C34 H28 Co Fe I2 P2
• Calculated formula: C34 H28 Co Fe I2 P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]2[cH]7[cH]8[cH]93)[P](c2ccccc2)(c2ccccc2)[Co]1(I)I
• Title of publication: Co(II)-Based single-ion magnets with 1,1'-ferrocenediyl-bis(diphenylphosphine) metalloligands.
• Authors of publication: Hrubý, J; Dvořák, D; Squillantini, L.; Mannini, M.; van Slageren, J.; Herchel, R.; Nemec, I.; Neugebauer, P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 33
• Pages of publication: 11697 - 11707
• a: 8.9206 ± 0.0005 Å
• b: 18.0297 ± 0.0011 Å
• c: 9.9691 ± 0.0007 Å
• α: 90°
• β: 94.857 ± 0.002°
• γ: 90°
• Cell volume: 1597.63 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No