Information card for entry 4347551

Structure parameters

• Formula: C104 H81.4 N8 Ni4 O14.43 S8
• Calculated formula: C104 H78 N8 Ni4 O14.444 S8
• Title of publication: Fluorescent Chemosensors for Selective and Sensitive Detection of Phosmet/Chlorpyrifos with Octahedral Ni(2+) Complexes.
• Authors of publication: Raj, Pushap; Singh, Amanpreet; Kaur, Kamalpreet; Aree, Thammarat; Singh, Ajnesh; Singh, Narinder
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 4874 - 4883
• a: 14.0785 ± 0.0008 Å
• b: 14.2423 ± 0.0008 Å
• c: 27.2243 ± 0.0013 Å
• α: 76.5 ± 0.002°
• β: 88.452 ± 0.002°
• γ: 74.831 ± 0.002°
• Cell volume: 5119.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1424
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No