cis–[Ru(NCO)(O)([14]aneN₄-Me₄-κ⁴N)]⊕

Formula Unicode styled: 
cis–[Ru(NCO)(O)([14]aneN₄-Me₄-κ⁴N)]⊕
Compound name(s): 
(1,4,8,11-Tetramethyl-1,4,8,11-tetra-azacyclotetradecane-N,N',N'',N''')-isocyanato-oxo-ruthenium(1+)
Central atom: 
Ruthenium
Charge on formula unit (QN): 
1+
Attached groups: 
NCO (isocyanato-κN)
O (oxo X₂)
[14]aneN₄-Me₄ (tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ⁴N)
Compound type: 
Molecular
DOI link to literature report: 
10.1021/ic00261a025
Crystal data CSD link: 
fivfar
Crystal data ICSD link: 
Valence Number (VN) = 𝘹 + 2𝘻 : 
VN: 4
Coordination Number (CN, sum of attached group denticities): 
CN: 6
Oxidation Number (ON) (Roman numerals): 
ON: (IV)
Electron Number (EN) = 𝘮 + 𝘹 +2𝘭: 
EN: 18
Bond number (BN) = 𝘹 + 𝘭 + 𝘻: 
7
[MLXZ]𝘲 class: 
[MX3L4]+
MLXZ class (ENC, equivalent neutral class): 
MX4L3
Summary of calculated classifications: 
Ru«V4C6OIVE18B7Z0X3L4»⊕
Geometry: 
6-coordinate: octahedron (OC-6)
Isomer label: 
cis
𝘥-electron configuration = 𝘮 – VN: 
d4
𝘥-electron configuration = 𝘮 – ON: 
d4
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲: 
d4
Attached atoms: 
N5O1
Phase: 
Solid
InChIKey (see www.inchi-trust.org): 
WROAOEXRYAABRV-UHFFFAOYNA-N