Information card for entry 2214271

Structure parameters

• Common name: Ni4(dmap)4Cl2
• Chemical name: bis[μ~3~-2,6-bis(methylamino)pyridine(2-)-κ^4^N^2^:N^1^,N^6^:N^6^]bis[μ~3~- 2,6-bis(methylamino)pyridine(1-)-κ^3^N^1^:N^2^:N^2^]dichloridotetranickel(II)
• Formula: C28 H38 Cl2 N12 Ni4
• Calculated formula: C28 H38 Cl2 N12 Ni4
• SMILES: [Ni]1234[Ni]567[N]([Ni]8(Cl)[N]1(C)c1cccc([n]41)N([Ni](Cl)([N]2(c1[n]5c(ccc1)NC)C)[N]7(C)c1cccc([n]61)N8C)C)(c1[n]3c(NC)ccc1)C
• Title of publication: A tetranuclear nickel(II) cluster: bis[μ~3~-2,6-bis(methylamino)pyridine(2{-})-κ^4^<i>N</i>^2^:<i>N</i>^1^,<i>N</i>^6^:<i>N</i>^6^]bis[μ~3~-2,6-bis(methylamino)pyridine(1{-})-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^2^]dichloridotetranickel(II)
• Authors of publication: Cotton, F. Abert; Murillo, Carlos A.; Wang, Qingsheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1905 - m1905
• a: 12.71 ± 0.007 Å
• b: 10.903 ± 0.006 Å
• c: 24.729 ± 0.014 Å
• α: 90°
• β: 99.842 ± 0.011°
• γ: 90°
• Cell volume: 3376 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.0767
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes