Formula Unicode styled:
[Re(PPh₂)(⭀NBuᵗ)₃]
Compound name(s):
tris(t-Butylimido)-(diphenylphosphido)-rhenium
Central atom:
Charge on formula unit (QN):
0
Attached groups:
Compound type:
Notes:
At first sight the electron number (EN) for the metal is 20. However the three ⭀NBuᵗ groups are connected to the metal (approximately C3v through σ and π bonds but one of the π-set for the three ⭀NBuᵗ groups is A2. That has no match on the nine available orbitals in a C3v environment meaning the overall electron count for the metal is 18 rather than 20. I don't see an immediate reference for this so if my analysis is incorrect, or of you know of an appropriate reference, please let me know.
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:
[MX7L2]
MLXZ class (ENC, equivalent neutral class):
MX7L2
Summary of calculated classifications:
Re«V7C4OVIIE18B9Z0X7L2»
Geometry:
𝘥-electron configuration = 𝘮 – VN:
d0
𝘥-electron configuration = 𝘮 – ON:
d10
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d0
Attached atoms:
N3P1
Phase:
InChIKey (see www.inchi-trust.org):
HCJMCUAUTZMSLI-UHFFFAOYSA-N