mer,cis–[Mo(Br)₃(OH₂)(NO)₂]⊖

Formula Unicode styled:

Compound name(s):

aqua-tribromo-dinitrosyl-molybdenum

Central atom:

Molybdenum

Charge on formula unit (QN):

1–

Attached groups:

Br (bromo)

OH₂ (aqua)

(NO)₂ (dinitrosyl, (N≡O)₂ cis-octahedral Ⓢ)

Compound type:

Molecular

DOI link to literature report:

10.1002/zaac.19824950114

Crystal data CSD link:

bunhex

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 6

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

CN: 6

Oxidation Number (ON) (Roman numerals):

ON: (O)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 18

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₅L₃Z₁]^-

MLXZ class (ENC, equivalent neutral class):

MX₆L₃

Summary of calculated classifications:

Mo«V⁶C⁶O^OE¹⁸B⁹X⁵L³Z¹»^⊖

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

mer,cis

𝘥-electron configuration = 𝘮 – VN:

d⁰

𝘥-electron configuration = 𝘮 – ON:

d⁶

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

d⁰

Attached atoms:

Br₃N₂O₁

Phase:

Solid

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

DYPUFPGJEVOQOU-UHFFFAOYSA-K