Information card for entry 7218582

Structure parameters

• Formula: C57 H67 N9 O15 Zn2
• Calculated formula: C44.4 H25 N4.8 O10.8 Zn2
• Title of publication: Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks
• Authors of publication: Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 299
• a: 15.1431 ± 0.0006 Å
• b: 15.2322 ± 0.0006 Å
• c: 16.0597 ± 0.0004 Å
• α: 98.484 ± 0.002°
• β: 102.682 ± 0.002°
• γ: 104.206 ± 0.003°
• Cell volume: 3423.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.2062
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No