Information card for entry 7110460

Structure parameters

• Formula: C20 H20 Cu6 I4 Mo N4 S4
• Calculated formula: C80 Cu90 I6 Mo1.25 N16 S80
• Title of publication: Strong optical limiting (OL) capability of the two-dimensional network cluster polymer [MoS4Cu6I4(py)4]n
• Authors of publication: Hou, Hongwei; Fan, Yaoting; Du, Chenxia; Zhu, Yu; Wang, Wenling; Xin, Xinquan; Low, Michael K. M.; Ji, Wei; Ang, How Ghee
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 647
• a: 14.814 ± 0.003 Å
• b: 14.814 ± 0.003 Å
• c: 15.712 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3448.1 ± 1.5 ų
• Cell temperature: 291.2 K
• Ambient diffraction temperature: 291.2 K
• Number of distinct elements: 7
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0416
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No