Crystallography Open Database

Information card for entry 7226587

Preview

Coordinates	7226587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H5 Br I3 N Pb
Calculated formula	C5 H5 Br I3 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	8.3723 ± 0.0005 Å
b	10.0412 ± 0.0005 Å
c	15.094 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1268.92 ± 0.12 Å³
Cell temperature	180.15 K
Ambient diffraction temperature	180.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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

Version history

Revision	Date	Message	Files
188108 (current)	2016-11-08	cif/ Updating files of 7226587, 7226588, 7226589, 7226590, 7226591, 7226592, 7226593, 7226594, 7226595, 7226596, 7226597, 7226598, 7226599, 7226600, 7226601 Original log message: Adding full bibliography for 7226587--7226601.cif.	7226587.cif
186698	2016-09-22	cif/ Adding structures of 7226587, 7226588, 7226589, 7226590, 7226591, 7226592, 7226593, 7226594, 7226595, 7226596, 7226597, 7226598, 7226599, 7226600, 7226601 via cif-deposit CGI script.	7226587.cif