Information card for entry 7012719

Structure parameters

• Formula: C24 H54 Cl2 N10 Ni4 O19
• Calculated formula: C24 H54 Cl2 N10 Ni4 O19
• SMILES: [Ni]1234(ON5[Ni]678([O]=C(C=5C)C)[O]=C(C(=[N]8O[Ni]589(O[N]%10[Ni]%11([O]=C(C(=[N]%11O1)C)C)([O]=C(C=%10C)C)([OH]26)[OH]75)[NH2]CC[NH]8CC[NH2]9)C)C)[NH2]CC[NH]3CC[NH2]4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Structural, magnetic and related attributes of some oximate-bridged tetranuclear nickel(ii) rhombs and a dinuclear congenerElectronic supplementary information (ESI) available: mass spectra, χT vs. T, response of magnetic properties, low-lying spin levels and UV-VIS data. See http://www.rsc.org/suppdata/dt/b3/b300539a/
• Authors of publication: Pavlishchuk, Vitaly V.; Kolotilov, Sergey V.; Addison, Anthony W.; Prushan, Michael J.; Schollmeyer, Dieter; Thompson, Laurence K.; Weyhermüller, Thomas; Goreshnik, Eugeny A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1587
• a: 10.6517 ± 0.0003 Å
• b: 17.5058 ± 0.0006 Å
• c: 22.544 ± 0.001 Å
• α: 90°
• β: 92.53 ± 0.01°
• γ: 90°
• Cell volume: 4199.6 ± 0.3 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.0994
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No