Formula Unicode styled:
[Mo(SPh)₂(NO)(Cp)]
Compound name(s):
(η⁵-Cyclopentadienyl)-nitrosyl-bis(phenylthiolato)-molybdenum
Central atom:
Charge on formula unit (QN):
0
Compound type:
Notes:
Donation of π-electron density from the S atoms of the two SPh groups is achieved as the S p-orbitals are aligned with a metal π orbital that is not interacting significantly with the nitrosyl ligand. This is achieved as the two SPh groups interact as a X₂L set with the metal, bringing the electron number, EN, to 18. See, for instance:
- M.T. Ashby and J H.Enemark, J. Am. Chem. Soc., 1986, 108, 730–733, https://doi.org/10.1021/ja00264a026
- J.A. McCleverty, D. Seddon, N.A. Bailey, and N.W. Walker, J. Chem. Soc., Dalton Trans. 1976, 898, https://doi.org/10.1039/DT9760000898
- P. Legzdins, P.J. Lundmark, and S.J. Rettig, Organometallics 1993, 12. 3545–3552, https://doi.org/10.1021/om00033a029
- P. Legzdins, K.J. Ross, S.F. Sayers, and S.J. Rettig, Organometallics 1997, 16. 190–196, https://doi.org/10.1021/om960608+
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:
Mo«V6C6OIIE18B9X4L4Z1»
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:
C5N1S2
Phase:
InChIKey (see www.inchi-trust.org):
FSIHQNHHKZKLGE-UHFFFAOYSA-L