fac–[Re(SPh)₂(O)₂(Tp-κ³N)]

Formula Unicode styled: 
fac–[Re(SPh)₂(O)₂(Tp-κ³N)]
Compound name(s): 
Oxo-bis(phenylthiolato)-(hydrogen tris(1-pyrazolyl)borato)-rhenium
Central atom: 
Rhenium
Charge on formula unit (QN): 
0
Attached groups: 
SPh (phenylthio)
O (oxo X₂)
Tp (hydrotris(pyrazolyl)borato-κ³N)
Compound type: 
Molecular
DOI link to literature report: 
10.1021/ic00009a039
Crystal data CSD link: 
kiwdup
Crystal data ICSD link: 
Valence Number (VN) = 𝘹 + 2𝘻 : 
VN: 7
Coordination Number (CN, sum of attached group denticities): 
CN: 7
Oxidation Number (ON) (Roman numerals): 
ON: (VII)
Electron Number (EN) = 𝘮 + 𝘹 +2𝘭: 
EN: 18
Bond number (BN) = 𝘹 + 𝘭 + 𝘻: 
9
[MLXZ]𝘲 class: 
[MX7L2]
MLXZ class (ENC, equivalent neutral class): 
MX7L2
Summary of calculated classifications: 
Re«V7C7OVIIE18B9Z0X7L2»
Geometry: 
6-coordinate: octahedron (OC-6)
Isomer label: 
fac
𝘥-electron configuration = 𝘮 – VN: 
d0
𝘥-electron configuration = 𝘮 – ON: 
d10
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲: 
d0
Attached atoms: 
N3O2S2
Phase: 
Solid
InChIKey (see www.inchi-trust.org): 
OWUWNVVTJVRZME-UHFFFAOYSA-L