New Quasi-One-Dimensional Organic-Inorganic Hybrid Material: 1,3-Bis(4-piperidinium)propane Pentachlorobismuthate(III) Synthesis, Crystal Structure, and Spectroscopic Studies

Table 1

Crystal data and structure refinement details for (H₂TMDP)BiCl₅.

Crystal data
Empirical formula	C13H28N2·BiCl5
Formula weight (g/mol)	598.60
Crystal system, space group	Orthorhombic, Cmc21
𝑎 (Å)	15.826(4)
𝑏 (Å)	18.746(6)
𝑐 (Å)	7.470(3)
𝑉 (Å^3)	2216.2(13)
𝑍	4
μ (mm^−1)	8.56
𝐷𝑥 (Mg m^−3)	1.794
𝐹(000)	1152
Crystal size (mm)	0.56 ×0.31×0.24
Crystal habit	Colorless Prism
Data collection
Diffractometer	Enraf Nonius CAD4
Monochromater	Graphite
Radiation type, 𝜆 (Å)	Mo Kα, 0.71073
𝑇 (K)	298
Indexes range	−1≤ℎ≤20; −23≤𝑘≤3; −1≤𝑙≤9
Absorption correction:	psi-scan
𝑇min/𝑇max	0.675/0.999
Measured reflections	1944
Independent reflections	1541
Observed refl. with 𝐼 >2 𝜎 ( 𝐼 )	1476
𝑅int	0.014
Refinement
Refinement on	𝐹^2
Data/restraints/parameters	1476/1/104
𝑅[𝐹^2>2𝜎(𝐹^2)]	0.019
𝑤𝑅(𝐹^2)	0.046
GoF = S	1.10
Δ𝜌max/Δ𝜌min (e·Å^−3)	0.73/−1.02
CCDC deposit number	800676