Information card for entry 8105554

Structure parameters

• Formula: C102 H108 Cl4 Gd4 N8 O22
• Calculated formula: C102 H108 Cl4 Gd4 N8 O22
• Title of publication: Crystal structure of bis(μ2-3,5-dichloro-2-oxidobenzoato-κ4 O,O′:O′,O′′)-hexakis(μ2-pivalato-κ2 O:O′)-bis(pivalato-κ2 O,O′)-tetrakis(1,10-phenanthroline-κ2 N,N′)tetragadolinium(III), C102H108Cl4Gd4N8O22
• Authors of publication: Yuhua, Guo; Junwei, Zhang; Hao, Liang; Yating, Fang; Najie, Zhuang; Youzhu, Yu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 97 - 99
• a: 11.4271 ± 0.0018 Å
• b: 12.779 ± 0.002 Å
• c: 20.102 ± 0.003 Å
• α: 76.6197 ± 0.0017°
• β: 86.9059 ± 0.0018°
• γ: 71.446 ± 0.0018°
• Cell volume: 2706.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No