Calcium binding to hydroxycarboxylic acids: crystal structure of calcium di-DL-glycerate dihydrate

Meehan, Edward J.; Einspahr, Howard; Bugg, Charles E.

doi:10.1107/s0567740879004994

Cited by 13 publications

(6 citation statements)

References 6 publications

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“…Water molecules frequently coordinate to the calcium(II) ion along with ligated carboxylate groups. The most commonly reported coordination number is eight, although approximately 40% of structurally characterized calcium carboxylate complexes display coordination spheres with six or seven ligands [14][15][16][17][18][19][20][21][22][23][24]. The average Ca-O carboxylate interatomic distance is 2.44 Å; bond lengths for complexes with fewer ligands were shorter (2.32 Å and 2.41 Å for coordination numbers six and seven, respectively) than the higher coordination compounds (2.47 Å, for coordination number eight).…”

Section: Resultsmentioning

confidence: 99%

A calcium-bridged porphyrin coordination network

Kosal

Chou

Suslick

2002

J. Porphyrins Phthalocyanines

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The hydrothermal assembly of a very stable porphyrin network with nanoscale cavities is described. A tightly packed and interpenetrated, linear polymeric framework was observed in the solid-state X-ray structure of freebase 5,10,15,20-tetrakis-(4-carboxyphenyl)porphyrin coordinated to calcium(II) ions. Strong hydrogen-bonding interactions between the coordination polymers form a two-dimensional network. Perpendicular bands interpenetrate generating an unusual three-dimensional box that clathrates a pyridine molecule.

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Section: Resultsmentioning

confidence: 99%

A calcium-bridged porphyrin coordination network

Kosal

Chou

Suslick

2002

J. Porphyrins Phthalocyanines

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“…Although the a examples tend to cluster in the region near the carboxylate plane, deviations up to 1.25 A are observed, and ~0 values cover the range between 120 and 220 °. The a-chelation pattern appears to be a particularly favorable configuration for binding Ca ions (Meehan, Einspahr & Bugg, 1979). We encountered 50 examples of carboxylate groups that possess an O or N atom attached to the atom in the a position.…”

Section: Discussionmentioning

confidence: 99%

The geometry of calcium carboxylate interactions in crystalline complexes

Einspahr¹,

Bugg²

1981

Acta Crystallogr Sect B

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130

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The geometries of some 170 examples of calciumcarboxylate interactions from crystal structures of calcium complexes are reviewed. Calcium-carboxylate interactions fall into three main categories: a unidentate mode in which the Ca ion binds to only one of the carboxylate O atoms; a bidentate mode in which the carboxylate ion uses both O atoms to chelate the Ca ion; and an additional chelation mode, the a mode, that is observed when a suitable ligand for the Ca ion is attached at the a position and in which chelation of the Ca ion is achieved by use of the ct substituent together with one of the carboxylate O atoms. The three modes show distinct geometrical preferences, but in each there is a strong tendency for the Ca ion to lie near the plane of the carboxylate group. In general, there is little tendency for a Ca ion to be collinear with the C-O bond. The unidentate examples cluster on both sides of the C-O bond, with most Ca ions lying at Ca--O-C angles of about 150-170 ° on the side away from the second O atom of the carboxylate group, or 110-140 ° on the side toward the second O atom.

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“…The latter mode is also shown in the crystal structure of the Ca(I1)-di-dl-glycerate complex (32). Selection of a model for coordination through one oxygen only (Mode 111) requires care.…”

Section: Fig 2 'mentioning

confidence: 99%

A proton nuclear magnetic resonance relaxation study of the glycine, alanine, and lactate complexes of gadolinium(III) in aqueous solution

Reid¹,

Podányi²

1987

Can. J. Chem.

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, 1508 (1987). The 'H nuclear magnetic resonance spin-lattice and spin-spin relaxation rate enhancements induced by the gadolinium(II1) ion were measured in solutions of glycine, alanine, and sodium lactate containing different amounts of Gd(II1). The proton relaxation rates in the Gd(II1) complexes were calculated from these data, and were used to calculate metal-hydrogen atom distances.Comparison of these data with corresponding distances calculated from literature X-ray crystallographic data for model compounds shows that in the two amino acid complexes the Gd(II1) ion is coordinated in a four-membered ring through the two oxygen atoms of the carboxyl,ate group. By contrast, in the lactate complex coordination is via a five-membered ring involving one oxygen atom of the carboxylate group and the a-hydroxyl oxygen.

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Calcium binding to hydroxycarboxylic acids: crystal structure of calcium di-DL-glycerate dihydrate

Cited by 13 publications

References 6 publications

A calcium-bridged porphyrin coordination network

A calcium-bridged porphyrin coordination network

The geometry of calcium carboxylate interactions in crystalline complexes

A proton nuclear magnetic resonance relaxation study of the glycine, alanine, and lactate complexes of gadolinium(III) in aqueous solution

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