title: Crystal chemistry of Mg2P2O7.nH2O, n = 0, 2 and 6: magnesium-oxygen coordination and pyrophosphate ligation and conformation.
abstract: The crystal structure of the hexahydrate has been determined and is compared with the known structures of the dihydrate and two forms of the anhydrous compound. Comparisons among the structures provide some insight as to the structural role of Mg2+ as a cofactor in the ATP-ADP hydrolysis reactions of bioenergetics. Crystal data for dimagnesium pyrophosphate hexahydrate: Mg2P2O7.6H2O, M(r) = 330.66, monoclinic, P2(1)/n, a = 7.189 (2), b = 18.309 (8), c = 7.665 (5) A, beta = 92.360 (14) degrees, V = 1008.1 A3, Z = 4, Dx = 2.18 mg mm-3, F(000) = 680, mu = 0.609 mm-1 for lambda(Mo K alpha) = 0.7107 A. R(magnitude of F) = 0.047 for 937 data.
authors.affiliation: Université de Nancy I, Laboratoire de Minéralogie et Cristallographie, Vandoeuvre-lés-Nancy, France.
authors.forename: M
authors.initials: M
authors.lastname: Souhassou
authors.forename: C
authors.initials: C
authors.lastname: Lecomte
authors.forename: R H
authors.initials: RH
authors.lastname: Blessing
mesh_terms: D000255:Adenosine Triphosphate / Q000378:metabolism; D003460:Crystallization; D011756:Diphosphates / Q000737:chemistry*; D006860:Hydrogen Bonding; D008274:Magnesium / Q000737:chemistry*; D017616:Magnesium Compounds; D008968:Molecular Conformation; D010100:Oxygen / Q000737:chemistry*; D010710:Phosphates / Q000737:chemistry*; D013816:Thermodynamics; D014961:X-Ray Diffraction
chemical_list: D011756:Diphosphates; D017616:Magnesium Compounds; D010710:Phosphates; D000255:Adenosine Triphosphate; C034732:magnesium pyrophosphate; D008274:Magnesium; D010100:Oxygen