Information card for entry 7714651

Structure parameters

• Formula: C24 H29 B Cl Co N9 O4
• Calculated formula: C24 H29 B Cl Co N9 O4
• SMILES: [Co]12345[N](O[B](O[N]2=C(c2[n]3[nH]cc2)C)(O[N]4=C(c2[n]5[nH]cc2)C)c2ccccc2)=C(c2[n]1[nH]cc2)C.[Cl-].O=C(C)C
• Title of publication: Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates.
• Authors of publication: Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1482 - 1491
• a: 8.096 ± 0.002 Å
• b: 10.116 ± 0.003 Å
• c: 18.105 ± 0.005 Å
• α: 78.627 ± 0.006°
• β: 77.176 ± 0.006°
• γ: 80.835 ± 0.006°
• Cell volume: 1407 ± 0.7 ų
• Cell temperature: 120.15 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No