Crystallography Open Database

Information card for entry 2108874

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Structure parameters

Chemical name	Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium) tri-μ-chlorido-bis[trichloridobismuthate(III)]
Formula	C15 H42 Bi2 Cl9 N9
Calculated formula	C15 H42 Bi2 Cl9 N9
SMILES	[Bi]12(Cl)([Cl][Bi](Cl)([Cl]1)(Cl)([Cl]2)Cl)(Cl)Cl.[NH2+]=C(N(C)C)N(C)C.[NH2+]=C(N(C)C)N(C)C.[NH2+]=C(N(C)C)N(C)C
Title of publication	Understanding distortions of inorganic substructures in chloridobismuthates(III)
Authors of publication	Bujak, Maciej
Journal of publication	Acta Crystallographica Section B
Year of publication	2021
Journal volume	77
Journal issue	5
a	10.57031 ± 0.00017 Å
b	29.2063 ± 0.0004 Å
c	12.04367 ± 0.00019 Å
α	90°
β	106.634 ± 0.0017°
γ	90°
Cell volume	3562.52 ± 0.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0358
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
269239 (current)	2021-09-22	cif/ hkl/ Adding structures of 2108871, 2108872, 2108873, 2108874, 2108875 via cif-deposit CGI script.	2108874.cif 2108874.hkl