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Article

Monofluorophosphates—New Examples and a Survey of the PO3F2− Anion

Institute for Chemical Technologies and Analytics, Division of Structural Chemistry, TU Wien, Getreidemarkt 9/164-SC, A-1060 Vienna, Austria
Chemistry 2021, 3(1), 45-73; https://doi.org/10.3390/chemistry3010005
Received: 14 December 2020 / Revised: 29 December 2020 / Accepted: 1 January 2021 / Published: 7 January 2021
(This article belongs to the Special Issue 2020 Profile Papers by Chemistry' Editorial Board Members)
During a systematic study of monofluorophosphates, i.e., compounds comprising the tetrahedral anion PO3F2−, twelve, for the most part new, compounds were obtained from aqueous solutions. Crystal structure refinements based on single crystal X-ray diffraction data revealed the previously unknown crystal structures of CdPO3F(H2O)2, Cr2(PO3F)3(H2O)18.8, Pb2(PO3F)Cl2(H2O), (NH4)2M(PO3F)2(H2O)2 (M = Mg, Mn, Co), NH4Cr(PO3F)2(H2O)6, NH4Cu2(H3O2)(PO3F)2, (NH4)2Zn(PO3F)2(H2O)0.2, and (NH4)2Zn3(PO3F)4(H2O), as well as redeterminations of ZnPO3F(H2O)2.5 and (NH4)2Ni(PO3F)2(H2O)6. From the previously unknown crystal structures, CdPO3F(H2O)2 (space group P1¯), Cr2(PO3F)3(H2O)18.8 (P1¯), Pb2(PO3F)Cl2(H2O) (Pnma), NH4Cr(PO3F)2(H2O)6 (R3¯m), (NH4)2Zn(PO3F)2(H2O)0.2 (C2/c), and (NH4)2Zn3(PO3F)4(H2O) (I4¯3d) each crystallizes in an unique crystal structure, whereas compounds (NH4)2M(PO3F)2(H2O)2 (M = Mg, Co) crystallize in the (NH4)2Cu(PO3F)2(H2O)2 type of structure (C2/m) and (NH4)2Mn(PO3F)2(H2O)2 in a subgroup thereof (P21/n, with a klassengleiche relationship of index 2), and NH4Cu2(H3O2)(PO3F)2 (C2/m) crystallizes isotypically with natrochalcite-type KCu2(H3O2)(SO4)2. A survey on the PO3F2 anion, including database entries of all inorganic compounds comprising this group, revealed mean bond lengths of P–O = 1.506(13) Å, P–F = 1.578(20) Å, and angles of O–P–O = 113.7(1.7)° and O–P–F = 104.8(1.7)°, using a dataset of 88 independent PO3F2 anions or entities. For those crystal structures of monofluorophosphates where hydrogen bonding is present, in the vast majority of cases, hydrogen bonds of the type D–H···F–P (D = O, N) are not developed. View Full-Text
Keywords: monofluorophosphate; crystal growth; mean bond lengths and angles; structure determination; relationship monofluorophosphate and sulfate; D–H···F hydrogen bonds monofluorophosphate; crystal growth; mean bond lengths and angles; structure determination; relationship monofluorophosphate and sulfate; D–H···F hydrogen bonds
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MDPI and ACS Style

Weil, M. Monofluorophosphates—New Examples and a Survey of the PO3F2− Anion. Chemistry 2021, 3, 45-73. https://doi.org/10.3390/chemistry3010005

AMA Style

Weil M. Monofluorophosphates—New Examples and a Survey of the PO3F2− Anion. Chemistry. 2021; 3(1):45-73. https://doi.org/10.3390/chemistry3010005

Chicago/Turabian Style

Weil, Matthias. 2021. "Monofluorophosphates—New Examples and a Survey of the PO3F2− Anion" Chemistry 3, no. 1: 45-73. https://doi.org/10.3390/chemistry3010005

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