Information card for entry 7246033

Structure parameters

• Common name: Iron oxide
• Chemical name: Iron oxide
• Formula: Fe25 O32
• Calculated formula: Fe25 O32
• Title of publication: Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives.
• Authors of publication: Arif, Nadia; Shafiq, Zahid; Noureen, Sajida; Khalid, Muhammad; Ashraf, Abida; Yaqub, Muhammad; Irshad, Shabana; Khan, Muhammad Usman; Arshad, Muhammad Nadeem; Carmo Braga, Ataualpa Albert; Ragab, Ahmed H.; Al-Mhyawi, Saedah R
• Journal of publication: RSC advances
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 464 - 477
• a: 13.626 ± 0.003 Å
• b: 13.626 ± 0.003 Å
• c: 2.6598 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 427.68 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Cell measurement pressure: 65000000 ± 1000000 kPa
• Number of distinct elements: 2
• Space group number: 189
• Hermann-Mauguin space group symbol: P -6 2 m
• Hall space group symbol: P -6 -2
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for significantly intense reflections: 1.53
• Goodness-of-fit parameter for all reflections included in the refinement: 1.46
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.2885 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No