Structure of hexakis(N-methylimidazole-N')iron(II) tetraphenylborate dichloromethane solvate.
[Fe(C4H6N2)6][B(C6H5)4]2.CH2Cl2, Mr = 1271.88, monoclinic, P2(1)/c, a = 20.5320 (6), b = 15.113 (3), c = 23.611 (7) A, beta = 109.01 (3) degrees, V = 6926.9 (1) A3, Z = 4, Dx = 1.23 g cm-3, mu(Mo K alpha) = 0.70966 A, graphite monochromator, mu = 3.37 cm-1, F(000) = 2680, T = 298 K, R = 0.057 for 2310 unique observed reflections. The asymmetric unit consists of a single [Fe(C4H6N2)6]2+ cation, two distinct BPh-4 anions, and one CH2Cl2. The Fe atom is octahedrally coordinated by six N-methylimidazole ligands. The six Fe-N bond distances per cation range from 2.174 (11) to 2.228 (10) A, the average being 2.207 (12) A. This average distance is within the range previously observed for high-spin ferrous complexes. The ring planes of N-methylimidazole ligands that lie trans to each other have interplane angles of 17.56, 18.48 and 157.56 degrees. These ring planes lie approximately either parallel or perpendicular to equatorial Fe-N bonds.
Miller
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Department of Chemistry, Iowa State University, Ames 50011.
Jacobson
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Chen
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Kurtz
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D001896:Boron Compounds / Q000138:chemical synthesis; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003460:Crystallization; D003461:Crystallography; D005296:Ferrous Compounds / Q000138:chemical synthesis; D007093:Imidazoles / Q000138:chemical synthesis; D007501:Iron; D015394:Molecular Structure; D012984:Software; D013775:Tetraphenylborate / Q000031:analogs & derivatives / Q000138:chemical synthesis
D001896:Boron Compounds; D005296:Ferrous Compounds; D007093:Imidazoles; C062774:hexakis(N-methylimidazole-N')iron(II) tetraphenylborate dichloromethane; D013775:Tetraphenylborate; D007501:Iron