[Ca(NCS-κN)₂(OH₂)₂(12-crown-4-κ⁴O)]

Formula Unicode styled:

Compound name(s):

Diaqua-(1,4,7,10-tetraoxacyclododecane)-bis(isothiocyanato)-calcium

Central atom:

Charge on formula unit (QN):

Attached groups:

Compound type:

DOI link to literature report:

Crystal data CSD link:

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

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

Oxidation Number (ON) (Roman numerals):

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₂L₆]

MLXZ class (ENC, equivalent neutral class):

MX₂L₆

Summary of calculated classifications:

Ca«V²C⁸O^IIE¹⁶B⁸Z⁰X²L⁶»

𝘥-electron configuration = 𝘮 – VN:

𝘥-electron configuration = 𝘮 – ON:

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

Attached atoms:

N₂O₆

Phase:

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

OZROFMIVVMEMOC-MDXUTMLLNA-M