Crystallography Open Database

Information card for entry 8105319

Preview

Coordinates	8105319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 Bi Cl5 N4 O2
Calculated formula	C8 H10 Bi Cl5 N4 O2
Title of publication	The crystal structure of bis(2-hydroxypyrimidinium) pentachloridobismuthate(III), (C4N2H5O)2BiCl5
Authors of publication	Hao, Munan; Jin, Shifeng; Ma, Yuxin; Zhou, Junyan; Zhang, Zeyu; Zhao, Changchun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	885 - 886
a	9.1065 ± 0.0005 Å
b	14.595 ± 0.0008 Å
c	12.7195 ± 0.0008 Å
α	90°
β	93.557 ± 0.002°
γ	90°
Cell volume	1687.28 ± 0.17 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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