Information card for entry 1551234

Structure parameters

• Common name: [Co7].3.5H2O.14MeOH
• Formula: C98 H157 Co7 N13 O60.5
• Calculated formula: C84 H94 Co7 N12 O40
• SMILES: [Co]1234([O](NC(=[O]1)c1ccccc1OC)[Co]156([O]78[Co]9%10([O]=C(N27)c2ccccc2OC)([O]1NC(c1ccccc1OC)=[O]5)[O]12N([Co]57%11([OH]C)[O]=C(N[O]5[Co]52(ON(=O)=O)([O]2%12[Co]8([O]4NC(=[O]3)c3ccccc3OC)([O]36[Co]12([OH]C)([O]%11NC(=[O]7)c1c(OC)cccc1)[O]=C(N3)c1ccccc1OC)([OH]C)[O]=C(N%12)c1ccccc1OC)[O]=C(N[O]%105)c1ccccc1OC)c1ccccc1OC)C(=[O]9)c1ccccc1OC)ON(=O)=O)[OH]C
• Title of publication: Mono- and ditopic hydroxamate ligands towards discrete and extended network architectures.
• Authors of publication: Fugu, Mohammed B.; Ellaby, Rebecca J.; O'Connor, Helen M; Pitak, Mateusz B.; Klooster, Wim; Horton, Peter N.; Coles, Simon J.; Al-Mashhadani, Mohammed H; Perepichka, Igor F.; Brechin, Euan K.; Jones, Leigh F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 10180 - 10190
• a: 17.7308 ± 0.0007 Å
• b: 19.4055 ± 0.0004 Å
• c: 19.847 ± 0.0004 Å
• α: 103.669 ± 0.002°
• β: 101.741 ± 0.003°
• γ: 96.955 ± 0.003°
• Cell volume: 6393.1 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No