Information card for entry 4342941

Structure parameters

• Formula: C70 H96 I4 N8 O18 P4 Zn4
• Calculated formula: C70 H96 I4 N8 O18 P4 Zn4
• SMILES: c1(c(cc(cc1C(C)C)I)C(C)C)OP12=[O][Zn]3([n]4ccccc4N)OP4(Oc5c(cc(I)cc5C(C)C)C(C)C)=[O][Zn]([n]5c(N)cccc5)(O1)OP1(Oc5c(cc(I)cc5C(C)C)C(C)C)=[O][Zn](O2)([n]2c(N)cccc2)OP(Oc2c(cc(cc2C(C)C)I)C(C)C)(=[O][Zn]([n]2c(N)cccc2)(O1)O4)O3.OC.OC
• Title of publication: Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?
• Authors of publication: Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4882 - 4894
• a: 31.442 ± 0.008 Å
• b: 10.244 ± 0.002 Å
• c: 28.059 ± 0.007 Å
• α: 90°
• β: 103.138 ± 0.003°
• γ: 90°
• Cell volume: 8801 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No