Information card for entry 4345884

Structure parameters

• Formula: C44 H32 O4 P2
• Calculated formula: C44 H32 O4 P2
• SMILES: P(=O)(Oc1c(c2c(cc1)cccc2)c1c(OP(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1
• Title of publication: Eu(III) Chiral Coordination Polymer with a Structural Transformation System.
• Authors of publication: Koiso, Naoyuki; Kitagawa, Yuichi; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5741 - 5747
• a: 13.9994 ± 0.0003 Å
• b: 15.4896 ± 0.0003 Å
• c: 15.7389 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3412.9 ± 0.12 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No