Information card for entry 7712406

Structure parameters

• Formula: C6 Ca Fe K2 N6
• Calculated formula: C6 Ca Fe K2 N6
• Title of publication: Synthesis, Crystal Structures and Semiconducting Properties of New Hexacyanidomettallates
• Authors of publication: Qiao, Xianji; Qiu, Yi; Xin, Junjie; Da, Chen; Ma, Zili; Corkett, Alex; Cai, Guohong; Cai, Guanqun; Qu, Shangqing; Wang, Yuchao; Zhu, Zhenyu; Gao, Yiman; Wang, Zhigang; Dronskowski, Richard; Li, Guobao; Sun, Junliang
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.30124 ± 0.00029 Å
• b: 7.51475 ± 0.00023 Å
• c: 7.06772 ± 0.00021 Å
• α: 90°
• β: 90.3221 ± 0.0008°
• γ: 90°
• Cell volume: 547.11 ± 0.03 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 300 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Weighted residual factors for significantly intense reflections: 0.02602
• RFsqd: 0.14682
• Goodness-of-fit parameter for all reflections: 1.077
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54051 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No