Information card for entry 7212881

Structure parameters

• Formula: C35 H36 N6 Ni2 O S20
• Calculated formula: C35 H36 N6 Ni2 O S20
• Title of publication: Highly polar 7,7-bis(N,N-dimethylpiperazinium)-8,8-dicyanoquinodimethane in [Ni(dmit)2]− salt: crystal structure and magnetic properties
• Authors of publication: Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4087
• a: 11.965 ± 0.003 Å
• b: 13.81 ± 0.004 Å
• c: 17.296 ± 0.004 Å
• α: 76.003 ± 0.011°
• β: 78.762 ± 0.01°
• γ: 71.809 ± 0.01°
• Cell volume: 2612.3 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No