Information card for entry 4302128

Structure parameters

• Formula: C30 H36 Cs Ni O9 S10
• Calculated formula: C30 H36 Cs Ni O9 S10
• Title of publication: Ferromagnetic and Antiferromagnetic Coupling of [Ni(dmit)2]-Anion Layers Induced by Cs+2(benzo[18]crown-6)3 Supramolecule
• Authors of publication: Tomoyuki Akutagawa; Kozo Shitagami; Masaki Aonuma; Shin-ichiro Noro; Takayoshi Nakamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4454 - 4461
• a: 12.7899 ± 0.0007 Å
• b: 13.0539 ± 0.0007 Å
• c: 27.1703 ± 0.0015 Å
• α: 78.3394 ± 0.0018°
• β: 77.0109 ± 0.0016°
• γ: 70.6358 ± 0.0015°
• Cell volume: 4129.8 ± 0.4 ų
• Cell temperature: 296.1 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: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No