Information card for entry 4333509

Structure parameters

• Formula: C26 H38 Br4 Cd2 Fe2 O8 P2 Se2
• Calculated formula: C26 H38 Br4 Cd2 Fe2 O8 P2 Se2
• SMILES: [Cd]1([Se][P]([Fe]2345(C#[O])(C#[O])[cH]6[cH]2[cH]4[cH]3[cH]56)(OC(C)C)OC(C)C)([Br][Cd]([Se][P]([Fe]2345(C#[O])(C#[O])[cH]6[cH]2[cH]3[cH]5[cH]46)(OC(C)C)OC(C)C)([Br]1)Br)Br
• Title of publication: Conjugate Base of a Secondary Phosphine Selenide [P(Se)(O^i^Pr)~2~]^-^ as the Bridging Unit for the Construction of Heterometallic Fe(II)‒Hg(II)/Cd(II) Complexes
• Authors of publication: Sarkar, Bijay; Wen, Sung-Yin; Wang, Jyun-Hua; Chiou, Ling-Song; Liao, Ping-Kuei; Santra, Bidyut Kumar; Wang, Ju-Chun; Liu, C. W.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5129 - 5140
• a: 14.8691 ± 0.0009 Å
• b: 15.1994 ± 0.0009 Å
• c: 19.7322 ± 0.0013 Å
• α: 90°
• β: 102.003 ± 0.002°
• γ: 90°
• Cell volume: 4362 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No