Crystallography Open Database

Information card for entry 1562165

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Coordinates	1562165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 I4 N8 Pb2
Calculated formula	C28 H19 I4 N8 Pb2
Title of publication	Synthesis, X-ray crystal structure, optical properties and DFT studies of a new 2D layered iodide bridged Pb(II) coordination polymer with 2,3-bis(2-pyridyl)pyrazine
Authors of publication	Saghatforoush, Lotfali; Bakhtiari, Akbar; Gheleji, Hojjat
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	221
Pages of publication	433 - 440
a	7.9685 ± 0.0002 Å
b	25.2773 ± 0.0005 Å
c	9.17 ± 0.0007 Å
α	90°
β	109.674 ± 0.008°
γ	90°
Cell volume	1739.22 ± 0.17 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1 (a,b,c-1/4)
Hall space group symbol	P 2ybc
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	1.54178 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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