Information card for entry 7705147

Structure parameters

• Formula: C34 H28 Br2 Co Fe P2
• Calculated formula: C34 H28 Br2 Co Fe P2
• SMILES: Br[Co]1(Br)[P](c2ccccc2)(c2ccccc2)[c]23[Fe]456789%10([c]%11([cH]7[cH]6[cH]5[cH]4%11)[P]1(c1ccccc1)c1ccccc1)[cH]2[cH]8[cH]9[cH]3%10
• 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: 9.68 ± 0.003 Å
• b: 9.912 ± 0.003 Å
• c: 18.224 ± 0.005 Å
• α: 97.298 ± 0.01°
• β: 99.411 ± 0.01°
• γ: 116.006 ± 0.008°
• Cell volume: 1510.9 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No