Information card for entry 4309906

Structure parameters

• Formula: C68 H60 Co2 Fe4 N8 S8
• Calculated formula: C68 H60 Co2 Fe4 N8 S8
• SMILES: [Co]123([S]([Co]45(SC(=C(S4)C#N)C#N)SC(=C([S]35)C#N)C#N)C(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.[Fe]12345678([cH]9[cH]5[cH]3[cH]6[c]79C(C)C)[cH]3[c]1([c]15[cH]6[Fe]79%10%11%12%131([cH]([cH]59)[cH]6%13)[cH]1[cH]%11[cH]%10[c]7([cH]%121)C(C)C)[cH]8[cH]2[cH]43.[Fe]12345678([cH]9[cH]5[cH]3[cH]6[c]79C(C)C)[cH]3[c]1([c]15[cH]6[Fe]79%10%11%12%131([cH]([cH]59)[cH]6%13)[cH]1[cH]%11[cH]%10[c]7([cH]%121)C(C)C)[cH]8[cH]2[cH]43
• Title of publication: Biferrocene-M(mnt)2 Charge-Transfer Complexes (M = Ni, Co; mnt = Maleonitriledithiolate). Structure, Valence States, and Magnetic Properties
• Authors of publication: Tomoyuki Mochida; Kousuke Takazawa; Hideaki Matsui; Masashi Takahashi; Masuo Takeda; Michiko Sato; Yutaka Nishio; Koji Kajita; Hatsumi Mori
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8628 - 8641
• a: 13.45 ± 0.04 Å
• b: 14.31 ± 0.04 Å
• c: 19.42 ± 0.07 Å
• α: 107.48 ± 0.05°
• β: 103.4 ± 0.04°
• γ: 98.18 ± 0.05°
• Cell volume: 3376 ± 18 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No