Information card for entry 4309904

Structure parameters

• Formula: C34 H30 Fe2 N4 Ni S4
• Calculated formula: C34 H30 Fe2 N4 Ni S4
• SMILES: [Ni]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.[Fe]12345678([cH]9[cH]1[cH]2[c]3([cH]49)C(C)C)[cH]1[cH]5[c]6([cH]7[cH]18)[c]12[cH]3[cH]([Fe]23456789[cH]2[cH]4[c]5([cH]6[cH]27)C(C)C)[cH]8[cH]91
• 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: 13.052 ± 0.007 Å
• b: 18.085 ± 0.008 Å
• c: 11.542 ± 0.005 Å
• α: 91.36 ± 0.04°
• β: 109.63 ± 0.04°
• γ: 82.13 ± 0.05°
• Cell volume: 2541 ± 2 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No