Information card for entry 4118507

Structure parameters

• Formula: C18 H11 Mn N3 O6
• Calculated formula: C18 H11 Mn N3 O6
• Title of publication: Modular Design of Domain Assembly in Porous Coordination Polymer Crystals via Reactivity-Directed Crystallization Process
• Authors of publication: Tomohiro Fukushima; Satoshi Horike; Hirokazu Kobayashi; Masahiko Tsujimoto; Seiji Isoda; Maw Lin Foo; Yoshiki Kubota; Masaki Takata; Susumu Kitagawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 13341 - 13347
• a: 10.006 ± 0.002 Å
• b: 10.241 ± 0.002 Å
• c: 10.658 ± 0.002 Å
• α: 78.102 ± 0.008°
• β: 68.184 ± 0.007°
• γ: 81.527 ± 0.009°
• Cell volume: 989.1 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0918
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2865
• Weighted residual factors for all reflections included in the refinement: 0.2957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No