Information card for entry 8106095

Structure parameters

• Formula: C29 H30 N4 Ni O5
• Calculated formula: C29 H30 N4 Ni O5
• Title of publication: Crystal structure of catena-poly[aqua(μ2-1,3-bis(1H-benzo[d]imidazol-1-yl)propane-κ2 N:N′)-(μ2-5-(tert-butyl)isophthalate-κ3 O,O′:O′′)nickel(II)], C29H30N4NiO5
• Authors of publication: Zhou, Zhan; Zhou, Zhe; Jing, Peng-Jing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 189 - 191
• a: 10.0887 ± 0.0015 Å
• b: 11.2076 ± 0.0017 Å
• c: 13.277 ± 0.002 Å
• α: 87.78 ± 0.002°
• β: 72.138 ± 0.002°
• γ: 67.129 ± 0.002°
• Cell volume: 1311 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No