Information card for entry 7060555

Structure parameters

• Formula: C33 H62 Co Ho N3 O15
• Calculated formula: C33 H62 Co Ho N3 O15
• SMILES: [Ho]123456([O]7[Co]8([O]=C(O6)C(C)(C)C)([O]=C(N)N[N]8=Cc6c7c([O]1C)ccc6)([OH]C)[O]3C(=[O]2)C(C)(C)C)(OC(=[O]5)C(C)(C)C)[O]=C(O4)C(C)(C)C.OC.OC.OC
• Title of publication: Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties
• Authors of publication: Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8755 - 8762
• a: 22.55 ± 0.005 Å
• b: 10.051 ± 0.002 Å
• c: 18.174 ± 0.004 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 4119.1 ± 1.5 ų
• Cell temperature: 156.15 K
• Ambient diffraction temperature: 156.15 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No