Information card for entry 4342265

Structure parameters

• Formula: C52 H44 N10 Ni O
• Calculated formula: C52 H44 N10 Ni O
• SMILES: c1ccc2C(=c3ccc[n]3[Ni]34(n12)([n]1cccc2c1c1[n]4cccc1cc2)[n]1cccc1=C(c1cccn31)c1ccc(n2cncc2)cc1)c1ccc(cc1)n1cncc1.O(CC)CC
• Title of publication: Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks.
• Authors of publication: Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 2032 - 2039
• a: 14.8638 ± 0.0003 Å
• b: 10.3919 ± 0.0002 Å
• c: 15.4982 ± 0.0003 Å
• α: 90°
• β: 115.884 ± 0.001°
• γ: 90°
• Cell volume: 2153.74 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No