Information card for entry 4300370

Structure parameters

• Formula: C58 H49 Mn2 N33 O
• Calculated formula: C58 H49 Mn2 N33 O
• SMILES: [Mn]12([n]3[n](CN(C[n]4[n]1ccc4)C[n]1[n]2ccc1)ccc3)([N]#CC(=C(\C#N)C#N)/C#N)([N]#CC(C#N)=C(C#N)C#N)[N]#CC.O(CC)CC.N#CC
• Title of publication: Coordination complexes with cis-TCNE Radical Anion ligands. Models of M[TCNE]~2~ Magnets.
• Authors of publication: Wang, Guangbin; Zhu, Huifang; Fan, Jian; Slebodnick, Carla; Yee, Gordon T.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 11.4726 ± 0.001 Å
• b: 12.1751 ± 0.0009 Å
• c: 25.367 ± 0.002 Å
• α: 89.524 ± 0.006°
• β: 80.612 ± 0.007°
• γ: 64.543 ± 0.008°
• Cell volume: 3148.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No