Information card for entry 7046396

Structure parameters

• Common name: 1-pink
• Chemical name: MS001
• Formula: C4 H8 Co0.25 N1.5 O0.5 S0.5
• Calculated formula: C4 H8 Co0.25 N1.5 O0.5 S0.5
• Title of publication: Chemo-chromism in an orthogonal dabco-based Co(ii) network assembled by methanol-coordination and hydrogen bond formation.
• Authors of publication: Shiga, Misaki; Kawaguchi, Shogo; Fujibayashi, Masaru; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki; Noro, Shin-Ichiro; Nakamura, Takayoshi; Tsunashima, Ryo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 23
• Pages of publication: 7656 - 7662
• a: 7.2068 ± 0.0007 Å
• b: 14.213 ± 0.001 Å
• c: 21.8914 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2242.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No