Information card for entry 4309905

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([c]9([cH]4[cH]3[cH]2[cH]19)C(C)C)[c]1([cH]5[cH]6[cH]7[cH]81)[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[c]1([cH]6[cH]7[cH]8[cH]91)C(C)C
• 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: 12.86 ± 0.03 Å
• b: 17.74 ± 0.05 Å
• c: 21.91 ± 0.06 Å
• α: 85.97 ± 0.12°
• β: 76.01 ± 0.11°
• γ: 81.14 ± 0.12°
• Cell volume: 4789 ± 2 ų
• Cell temperature: 293.1 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: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No