Information card for entry 7218580

Structure parameters

• Formula: C37 H46 N8 O9 Zn
• Calculated formula: C30.4 H29.2 N5.8 O6.8 Zn
• 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: 16.381 ± 0.003 Å
• b: 14.17 ± 0.003 Å
• c: 19.415 ± 0.004 Å
• α: 90°
• β: 104.25 ± 0.03°
• γ: 90°
• Cell volume: 4367.9 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.2956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No