Crystal structure refinement of lead cyanamide and the stiffness of the cyanamide anion

Authors
Liu, XH Decker, A Schmitz, D Dronskowski, R
Citation
Xh. Liu et al., Crystal structure refinement of lead cyanamide and the stiffness of the cyanamide anion, Z ANORG A C, 626(1), 2000, pp. 103-105
Citations number
16
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
ISSN journal
00442313 → ACNP
Volume
626
Issue
1
Year of publication
2000
Pages
103 - 105
Database
ISI
SICI code
0044-2313(200001)626:1<103:CSROLC>2.0.ZU;2-7
Abstract
The crystal structure of lead cyanamide, PbNCN, has been refined on the bas is of a single crystal grown from solution. PbNCN crystallizes in space gro up 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, an d the N-C-N angle is 176 degrees. Quantum-chemical DFT calculations indicat e that the cyanamide unit is comparatively easy to distort.