Information card for entry 4309052

Structure parameters

• Common name: Trinuclear-Cr2Mn
• Formula: C48 H44 Cr2 Mn N16 O5
• Calculated formula: C48 H32 Cr2 Mn N16 O5
• SMILES: [Mn]12([N]#C[Cr]3([n]4ccccc4c4[n]3cccc4)(C#N)(C#N)C#N)([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)[N]#C[Cr]1([n]2ccccc2c2[n]1cccc2)(C#N)(C#N)C#N.O.O.O.O.O
• Title of publication: Rational Synthesis and Magnetic Properties of a Family of Low-Dimensional Heterometallic Cr-Mn Complexes Based on the Versatile Building Block [Cr(2,2'-bipyridine)(CN)4]-
• Authors of publication: Yuan-Zhu Zhang; Song Gao; Zhe-Ming Wang; Gang Su; Hao-Ling Sun; Feng Pan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4534 - 4545
• a: 22.3706 ± 0.0009 Å
• b: 14.3757 ± 0.0004 Å
• c: 17.0226 ± 0.0006 Å
• α: 90°
• β: 104.802 ± 0.0011°
• γ: 90°
• Cell volume: 5292.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2319
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No