Crystal structure of bis-(rhodanine)copper(I) iodide, C/sub 6/H/sub 6/CuIN/sub 2/O/sub 2/S/sub 4/
The structure of the polymeric rhodanine compound Cul(HN-CO-CH/sub 2/-S-CS)/sub 2/, C/sub 6/H/sub 6/CuIN/sub 2/O/sub 2/S/sub 4/, was determined by X-rays. M /SUB r/ = 456.8, monoclinic, space group P2/sub 1//c, a = 4.1947(7), b = 17.6999(12), C = 17.1048(8) A, ..beta.. = 96.15(1)/sup 0/, V /SUB c/ = 1262.6 A/sup 3/, Z = 4, D /SUB c/ = 2.40Mg m/sup -3/, Cu K..cap alpha.. radiation (graphite crystal monochromator, lambda = 1.54056 A), ..mu..(Cu K..cap alpha..) = 278.9 cm/sup -1/, F(000) = 872, T = 290 K. Final conventional R - factor = 0.029, and R /SUB w/ = 0.044 for 2384 unique reflections and 153 variables. The structure was solved using Patterson methods and DIRDIF, and refined by full-matrix least-squares methods. The compound forms zigzag chains (..-Cu-I-Cu-..) along a. The copper atom is in trigonal pyramidal coordination, with two sulfur atoms of the thiocarbonyl group and two bridging iodine atoms. The copper-sulfur distances are 2.278(1) and 2.299(1) A, and the copper-iodine distances are 2.657(1) and 2.814(1) A.
- Research Organization:
- Univ. of Nijmegen, Nijmegen
- OSTI ID:
- 7045438
- Journal Information:
- J. Crystallogr. Spectrosc. Res.; (United States), Vol. 16:1
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
COPPER IODIDES
MONOCLINIC LATTICES
IMAGE PROCESSING
INTERATOMIC DISTANCES
LEAST SQUARE FIT
ORGANIC POLYMERS
ORGANIC SULFUR COMPOUNDS
ORGANOMETALLIC COMPOUNDS
PATTERSON METHOD
STRUCTURAL CHEMICAL ANALYSIS
TRIGONAL LATTICES
X-RAY DIFFRACTION
COHERENT SCATTERING
COPPER COMPOUNDS
COPPER HALIDES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFRACTION
DISTANCE
HALIDES
HALOGEN COMPOUNDS
IODIDES
IODINE COMPOUNDS
MAXIMUM-LIKELIHOOD FIT
NUMERICAL SOLUTION
ORGANIC COMPOUNDS
POLYMERS
PROCESSING
SCATTERING
TRANSITION ELEMENT COMPOUNDS
360602* - Other Materials- Structure & Phase Studies
400201 - Chemical & Physicochemical Properties