Abstract
This paper reports the molecular structure of the transition-metal tetrahydroborate complex Hf(BH4)4 by single-crystal neutron diffraction at 110 K. The compound crystallizes in the cubic space group P43m (Td1, No. 215) with a unit cell of dimensions a = 5.827 (4) Å. Full-matrix least-squares refinement gave a final value of R(Fo2) = 0.103 for 71 unique reflections with Fo2 > σ(Fo2). The molecular structure consists of monomeric Hf(BH4)4 units having rigorously Td symmetry and tridentate tetrahydroborate coordination. Important bond distances are Hf-B = 2.281 (8) Å, Hf-H(bridging) = 2.130 (9) Å, B-H(bridging) = 1.235 (10) Å, and B-H(terminal) = 1.150 (19) Å. Important bond angles are Hf-H(bridging)-B = 80.6 (6)°, H(bridging)-B-H(bridging) = 105.8 (6)°, and H(bridging)-B-H(terminal) = 112.9 (10)°. It is seen that the internal BH4- metrical parameters do not differ significantly from those in Hf(CH3C5H4)2(BH4) 2) in which the tetrahydroborate ligands are coordinated in an unsymmetrical bidentate fashion. However, Hf-B is 0.27 (1) Å longer and Hf-H(bridging, average) 0.035 (9) Å shorter in the latter molecule.
| Original language | English |
|---|---|
| Pages (from-to) | 1081-1084 |
| Number of pages | 4 |
| Journal | Inorganic Chemistry |
| Volume | 22 |
| Issue number | 7 |
| Publication status | Published - 1983 |
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- Inorganic Chemistry
Cite this
Metrical characterization of tridentate tetrahydroborate ligation to a transition-metal ion. Structure and bonding in Hf(BH4)4 by single-crystal neutron diffraction. / Broach, Robert W.; Chuang, I. Ssuer; Marks, Tobin J; Williams, Jack M.
In: Inorganic Chemistry, Vol. 22, No. 7, 1983, p. 1081-1084.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Metrical characterization of tridentate tetrahydroborate ligation to a transition-metal ion. Structure and bonding in Hf(BH4)4 by single-crystal neutron diffraction
AU - Broach, Robert W.
AU - Chuang, I. Ssuer
AU - Marks, Tobin J
AU - Williams, Jack M.
PY - 1983
Y1 - 1983
N2 - This paper reports the molecular structure of the transition-metal tetrahydroborate complex Hf(BH4)4 by single-crystal neutron diffraction at 110 K. The compound crystallizes in the cubic space group P43m (Td1, No. 215) with a unit cell of dimensions a = 5.827 (4) Å. Full-matrix least-squares refinement gave a final value of R(Fo2) = 0.103 for 71 unique reflections with Fo2 > σ(Fo2). The molecular structure consists of monomeric Hf(BH4)4 units having rigorously Td symmetry and tridentate tetrahydroborate coordination. Important bond distances are Hf-B = 2.281 (8) Å, Hf-H(bridging) = 2.130 (9) Å, B-H(bridging) = 1.235 (10) Å, and B-H(terminal) = 1.150 (19) Å. Important bond angles are Hf-H(bridging)-B = 80.6 (6)°, H(bridging)-B-H(bridging) = 105.8 (6)°, and H(bridging)-B-H(terminal) = 112.9 (10)°. It is seen that the internal BH4- metrical parameters do not differ significantly from those in Hf(CH3C5H4)2(BH4) 2) in which the tetrahydroborate ligands are coordinated in an unsymmetrical bidentate fashion. However, Hf-B is 0.27 (1) Å longer and Hf-H(bridging, average) 0.035 (9) Å shorter in the latter molecule.
AB - This paper reports the molecular structure of the transition-metal tetrahydroborate complex Hf(BH4)4 by single-crystal neutron diffraction at 110 K. The compound crystallizes in the cubic space group P43m (Td1, No. 215) with a unit cell of dimensions a = 5.827 (4) Å. Full-matrix least-squares refinement gave a final value of R(Fo2) = 0.103 for 71 unique reflections with Fo2 > σ(Fo2). The molecular structure consists of monomeric Hf(BH4)4 units having rigorously Td symmetry and tridentate tetrahydroborate coordination. Important bond distances are Hf-B = 2.281 (8) Å, Hf-H(bridging) = 2.130 (9) Å, B-H(bridging) = 1.235 (10) Å, and B-H(terminal) = 1.150 (19) Å. Important bond angles are Hf-H(bridging)-B = 80.6 (6)°, H(bridging)-B-H(bridging) = 105.8 (6)°, and H(bridging)-B-H(terminal) = 112.9 (10)°. It is seen that the internal BH4- metrical parameters do not differ significantly from those in Hf(CH3C5H4)2(BH4) 2) in which the tetrahydroborate ligands are coordinated in an unsymmetrical bidentate fashion. However, Hf-B is 0.27 (1) Å longer and Hf-H(bridging, average) 0.035 (9) Å shorter in the latter molecule.
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M3 - Article
AN - SCOPUS:0002516264
VL - 22
SP - 1081
EP - 1084
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 7
ER -