fac–[Os(H)(η²-H₂)(PPrⁱ₃)([9]aneN₃-κ³N)]²⊕

Formula Unicode styled: 
fac–[Os(H)(η²-H₂)(PPrⁱ₃)([9]aneN₃-κ³N)]²⊕
Compound name(s): 
Dihydrido-(dihydrogen-H,H')-(1,4,7-triazacyclononane-N,N',N'')-(triisopropylphosphine)-osmium(2+)
Central atom: 
Osmium
Charge on formula unit (QN): 
2+
Attached groups: 
H (hydrido)
H₂ (η²-dihydrogen)
PPrⁱ₃ (triisopropylphosphane)
[9]aneN₃ (1,4,7-triazacyclononane-κ³N)
Compound type: 
Molecular
DOI link to literature report: 
10.1021/ic8023259
Crystal data CSD link: 
xovtei
Crystal data ICSD link: 
Valence Number (VN) = 𝘹 + 2𝘻 : 
VN: 3
Coordination Number (CN, sum of attached group denticities): 
CN: 6
Oxidation Number (ON) (Roman numerals): 
ON: (III)
Electron Number (EN) = 𝘮 + 𝘹 +2𝘭: 
EN: 17
Bond number (BN) = 𝘹 + 𝘭 + 𝘻: 
6
[MLXZ]𝘲 class: 
[MX1L5]2+
MLXZ class (ENC, equivalent neutral class): 
MX3L3
Summary of calculated classifications: 
Os«V3C6OIIIE17B6Z0X1L5»2⊕
Geometry: 
6-coordinate: octahedron (OC-6)
Isomer label: 
fac
𝘥-electron configuration = 𝘮 – VN: 
d5
𝘥-electron configuration = 𝘮 – ON: 
d5
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲: 
d5
Attached atoms: 
H2N3P1
Phase: 
Solid
InChIKey (see www.inchi-trust.org): 
LWVQLTTUIRSGLP-UHFFFAOYSA-N