Information card for entry 4342267

Structure parameters

• Formula: C86 H72 Cd Cl2 N18 Ni2 O3
• Calculated formula: C86 H70 Cd Cl2 N18 Ni2 O3
• 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: 22.2012 ± 0.0005 Å
• b: 8.8143 ± 0.0002 Å
• c: 22.3347 ± 0.0005 Å
• α: 90°
• β: 102.196 ± 0.001°
• γ: 90°
• Cell volume: 4271.99 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No