trans–[Mo(H)(CNBuᵗ)(CO)₂(Cp*)]

Formula Unicode styled:

Compound name(s):

Dicarbonyl-(η-pentamethyl-cyclopentadienyl)-hydrido-t-butylisocyano-molybdenum

Central atom:

Molybdenum

Charge on formula unit (QN):

Attached groups:

H (hydrido)

CNBuᵗ (t-butyl isocyanide)

CO (carbonyl)

Cp* (η⁵-pentamethylcyclopentadienyl)

Compound type:

Molecular

DOI link to literature report:

10.1016/0022-328X(89)87181-5

Crystal data CSD link:

saphum

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 2

Coordination Number (CN, sum of attached group denticities):

CN: 7

Oxidation Number (ON) (Roman numerals):

ON: (II)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 18

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₂L₅]

MLXZ class (ENC, equivalent neutral class):

MX₂L₅

Summary of calculated classifications:

Mo«V²C⁷O^IIE¹⁸B⁷Z⁰X²L⁵»

Geometry:

7-coordinate: ③-●-4 piano stool

Isomer label:

trans

𝘥-electron configuration = 𝘮 – VN:

d⁴

𝘥-electron configuration = 𝘮 – ON:

d⁴

𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:

d⁴

Attached atoms:

C₈H₁

Phase:

Solid

InChIKey (see www.inchi-trust.org):

XEAXEEGMUZFLQQ-UHFFFAOYSA-N