Formula Unicode styled:
[Th(H)(Cp*₃)]
Compound name(s):
Hydrido-tris(η-pentamethyl-cyclopentadienyl)-thorium
Central atom:
Charge on formula unit (QN):
0
Attached groups:
Compound type:
Notes:
The three cyclopentadienyl groups as a set contribute 13 electrons rather than 15 (five for each cyclopentadienyl) to the metal. This is because one of the ligand orbitals set associated with the three cyclopentadienyl groups has no symmetry match with relevant metal atomic orbitals. This reduces the formal metal electron count by two. See:
- L.T. Reynolds and G. Wilkinson, J. Inorg. Nucl. Chem., 1956, 2, 246-253, https://doi.org/10.1016/0022-1902(56)80051-1. See contribution by W. Moffitt starting on page 248.
- J.W. Lauher and R. Hoffmann, J. Am. Chem. Soc. 1976, 98, 1729-1742, https://pubs.acs.org/doi/pdf/10.1021/ja00423a017
- B.E. Bursten, L.F. Rhodes, and R.J. Strittmatter, J. Am. Chem. Soc. 1989, 111, 2756-2758, https://pubs.acs.org/doi/pdf/10.1021/ja00190a002
- B.E. Bursten and R.J. Strittmatter, Angew. Chem., Int. Ed. Engl., 1991, 30, 1069–1085, https://doi.org/10.1002/anie.199110691
DOI link to literature report:
Crystal data CSD link:
Crystal data ICSD link:
Valence Number (VN) = 𝘹 + 2𝘻 :
Coordination Number (CN, sum of attached group denticities):
Oxidation Number (ON) (Roman numerals):
Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:
Bond number (BN) = 𝘹 + 𝘭 + 𝘻:
9
[MLXZ]𝘲 class:
[MX4L5]
MLXZ class (ENC, equivalent neutral class):
MX4L5
Summary of calculated classifications:
Th«V4C10OIVE18B9Z0X4L5»
Geometry:
𝘥-electron configuration = 𝘮 – VN:
𝘥-electron configuration = 𝘮 – ON:
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
Attached atoms:
C15H1
Phase:
InChIKey (see www.inchi-trust.org):
OQIHHFBVOMHVRF-UHFFFAOYSA-N