Information card for entry 8000031

Structure parameters

• Common name: hexakis{bis(L-prolinato)cobalt(II)}barium(II) tetramethylammonium perchlorate
• Formula: C68 H120 Ba Cl4 Co6 N14 O40
• Calculated formula: C68 H120 Ba Cl4 Co6 N14 O40
• Title of publication: Changing Mixed-valence State of Hexacobalt Cluster by Substituting Central Metal Ion and by Electrochemical Reduction ‒ Different Mixed-valence States of [M{Co(prolinato)2}6]4+ (M =Ba2+ and La3+)
• Authors of publication: Takashi Komiyama; Satoshi Igarashi; Yoshimasa Hoshino; Yasuhiko Yukawa
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 300
• a: 21.6417 ± 0.0004 Å
• b: 21.6417 ± 0.0004 Å
• c: 21.6417 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10136.2 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 196
• Hermann-Mauguin space group symbol: F 2 3
• Hall space group symbol: F 2 2 3
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No