Information card for entry 7245154

Structure parameters

• Formula: C9 H12 Co K N5 O3
• Calculated formula: C9 H12 Co K N5 O3
• Title of publication: Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain
• Authors of publication: Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 10.6103 ± 0.0012 Å
• b: 10.6103 ± 0.0012 Å
• c: 7.2328 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 705.17 ± 0.13 ų
• Cell temperature: 446 K
• Ambient diffraction temperature: 446 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No