Information card for entry 7023261

Structure parameters

• Formula: C16 H21 N6 O3 P
• Calculated formula: C16 H21 N6 O3 P
• SMILES: P(=O)(Nc1ccncc1)(Nc1ccncc1)Nc1ccncc1.O.OC
• Title of publication: Zn(II) coordination polymer of an in situ generated 4-pyridyl (4Py) attached bis(amido)phosphate ligand, [PO2(NH4Py)2]- showing preferential water uptake over aliphatic alcohols.
• Authors of publication: Gupta, Arvind K.; Nagarkar, Sanjog S.; Boomishankar, Ramamoorthy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10964 - 10970
• a: 10.9218 ± 0.0006 Å
• b: 9.3485 ± 0.0005 Å
• c: 9.763 ± 0.0005 Å
• α: 90°
• β: 110.049 ± 0.003°
• γ: 90°
• Cell volume: 936.42 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No