Formula Unicode styled:
[Tm(η⁹-C₉H₉)₂]
Compound name(s):
bis(cyclononatetraenyl)-thulium
Central atom:
Charge on formula unit (QN):
0
Attached groups:
Compound type:
Notes:
A simple electron count appears to give EN=33 but my understanding (possibly incorrect) is that the uppermost electrons are antibonding, taking the electron count to 29. I'm very happy to change this if my understanding is indeed incorrect. See M. Xémard, S. Zimmer, M. Cordier, V. Goudy, L. Ricard, C. Clavaguéra, and G. Nocton, J. Am. Chem. Soc., 2018, 140, 14433−14439. DOI: 10.1021/jacs.8b09081.
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:
8
[MLXZ]𝘲 class:
[MX2L6]
MLXZ class (ENC, equivalent neutral class):
MX2L6
Summary of calculated classifications:
Tm«V2C10OIIE29B8Z0X2L6»
Geometry:
𝘥-electron configuration = 𝘮 – VN:
𝘥-electron configuration = 𝘮 – ON:
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
Attached atoms:
C18
Phase:
InChIKey (see www.inchi-trust.org):
SBKIQJAKTBEPOE-UHFFFAOYSA-N