Information card for entry 7113524

Structure parameters

• Formula: C76 H194 N10 Ni8 O68
• Calculated formula: C76 H110 N10 Ni8 O68
• Title of publication: Increasing the crystallisation temperature to access new spin clusters: conversion of [Ni8(cit)6(OH)2(H2O)2]10- to [Ni8(cit)6(OH)2]10-
• Authors of publication: Murrie, Mark; Biner, Daniel; Stoeckli-Evans, Helen; Güdel, Hans U.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 2
• Pages of publication: 230 - 231
• a: 13.9785 ± 0.001 Å
• b: 19.1426 ± 0.0014 Å
• c: 24.657 ± 0.0019 Å
• α: 79.703 ± 0.009°
• β: 87.441 ± 0.009°
• γ: 70.468 ± 0.008°
• Cell volume: 6117.2 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1295
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103932
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No