Information card for entry 7012720

Structure parameters

• Formula: C16 H36 Cl2 N6 Ni2 O14
• Calculated formula: C16 H36 Cl2 N6 Ni2 O14
• SMILES: [NH2]1[Ni]234([N](=C(C(C)=[O]3)C)O[Ni]356([N](=C(C(C)=[O]5)C)O2)[NH2]CC[O]6CC[NH2]3)[NH2]CC[O]4CC1.Cl(=O)(=O)(=O)[O-].Cl(=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: 8.5117 ± 0.0006 Å
• b: 9.9561 ± 0.0008 Å
• c: 10.3216 ± 0.0009 Å
• α: 62.35 ± 0.02°
• β: 75.05 ± 0.02°
• γ: 66.71 ± 0.02°
• Cell volume: 708.67 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.0715
• Goodness-of-fit parameter for all reflections: 0.974
• Goodness-of-fit parameter for significantly intense reflections: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No