Information card for entry 7705146

Structure parameters

• Formula: C34 H28 Cl2 Co Fe P2
• Calculated formula: C34 H28 Cl2 Co Fe P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]9[cH]8[cH]7[cH]23)[P](c2ccccc2)(c2ccccc2)[Co]1(Cl)Cl
• 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: 9.6088 ± 0.0006 Å
• b: 9.7213 ± 0.0006 Å
• c: 18.0783 ± 0.001 Å
• α: 96.099 ± 0.005°
• β: 99.95 ± 0.005°
• γ: 115.437 ± 0.006°
• Cell volume: 1470.81 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No