title: Diaqua(5,10,15,20-tetraphenylporphinato)iron(III) Perchlorate, [Fe(C44H28N4)(H2O)2]ClO4.
abstract: The crystal structure of a new crystal form of [Fe(TPP)(H2O)2]ClO4 has been determined. The asymmetric unit contains one molecule in a general position and a half molecule with required inversion symmetry. The two independent molecules have almost identical average values for the equatorial Fe-Np bond lengths [2.029 (4) and 2.028 (6) A], and the axial Fe-O bond lengths are 2.140 (2) and 2.121 (3) A for molecule 1 (in a general position) and 2.126 (2) A for molecule 2 (in a special position). A brief comparison of the core structure and hydrogen-bonding environment of this molecule with two other crystal forms is described.
authors.affiliation: Department of Chemistry and Biochemistry, University of Notre Dame, IN 46556, USA.
authors.forename: B
authors.initials: B
authors.lastname: Cheng
authors.forename: W R
authors.initials: WR
authors.lastname: Scheidt
mesh_terms: D018360:Crystallography, X-Ray; D008665:Metalloporphyrins / Q000737:chemistry*; D015394:Molecular Structure
chemical_list: D008665:Metalloporphyrins; C021175:diaquo(meso-tetraphenylporphinato)iron(III) perchlorate