Formula Unicode styled:
[W(NHBuᵗ)₂(NO)(Cp*)]
Compound name(s):
bis(t-Butylamido)-(η-pentamethyl-cyclopentadienyl)-nitroso-tungsten
Central atom:
Charge on formula unit (QN):
0
Attached groups:
Compound type:
Notes:
"In order that donation of π-electron density from the amide N to the W centre can be achieved, it is imperative that the p-type orbital of the nitrogen atom be aligned with a π orbital of the metal that is not interacting significantly with the nitrosyl ligand. This feature has been previously delineated for other complexes."
This is achieved as the two NHBuᵗ groups interact as a X₂L set with the metal, bringing the electron number, EN, to 18. See, for instance:
- P. Legzdins, K.J. Ross, S.F. Sayers, and S.J. Rettig, Organometallics 1997, 16. 190–196, https://doi.org/10.1021/om960608+
- M.T. Ashby and J H.Enemark, J. Am. Chem. Soc., 1986, 108, 730–733, https://doi.org/10.1021/ja00264a026
.
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:
[MX4L4Z1]
MLXZ class (ENC, equivalent neutral class):
MX6L3
Summary of calculated classifications:
W«V6C5OIIE18B9X4L4Z1»
Geometry:
𝘥-electron configuration = 𝘮 – VN:
d0
𝘥-electron configuration = 𝘮 – ON:
d4
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d0
Attached atoms:
C5N3
Phase:
InChIKey (see www.inchi-trust.org):
KLKZJGYYWPHRJD-UHFFFAOYSA-N