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Crystal Structure Refinement of Lead Cyanamide and the Stiffness of the Cyanamide Anion
Author(s) -
Liu Xiaohui,
Decker Andrea,
Schmitz Dieter,
Dronskowski Richard
Publication year - 2000
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/(sici)1521-3749(200001)626:1<103::aid-zaac103>3.0.co;2-7
Subject(s) - cyanamide , chemistry , crystal structure , crystallography , ion , single crystal , stereochemistry , organic chemistry
The crystal structure of lead cyanamide, PbNCN, has been refined on the basis of a single crystal grown from solution. PbNCN crystallizes in space group Pnma ( Z = 4) with a = 555.66(4) pm, b = 386.77(2) pm, and c = 1173.50(8) pm. The cyanamide anion exhibits C–N bond lengths of 116 pm and 130 pm, and the N–C–N angle is 176°. Quantum‐chemical DFT calculations indicate that the cyanamide unit is comparatively easy to distort.