Crystallography Open Database

Information card for entry 7226599

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Coordinates	7226599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H5 Br3 Cl N Pb
Calculated formula	C5 H5 Br3 Cl N Pb
Title of publication	Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature
Authors of publication	Gómez, Verónica; Fuhr, Olaf; Ruben, Mario
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	42
Pages of publication	8207
a	19.8954 ± 0.0018 Å
b	8.0101 ± 0.0006 Å
c	13.5899 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2165.7 ± 0.3 Å³
Cell temperature	180.15 K
Ambient diffraction temperature	180.15 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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