Crystallography Open Database

Information card for entry 2228104

Preview

Structure parameters

Chemical name	<i>catena</i>-Poly[(<i>S</i>)-2-methylpiperazine-1,4-diium [[trichloridobismuthate(III)]-di-μ-chlorido]]
Formula	C5 H14 Bi Cl5 N2
Calculated formula	C5 H14 Bi Cl5 N2
SMILES	[Bi](Cl)(Cl)(Cl)(Cl)(Cl)[Cl][Bi](Cl)(Cl)(Cl)Cl.[C@@H]1(C[NH2+]CC[NH2+]1)C.[C@@H]1(C[NH2+]CC[NH2+]1)C
Title of publication	<i>catena</i>-Poly[(<i>S</i>)-2-methylpiperazine-1,4-diium [[trichloridobismuthate(III)]-di-μ-chlorido]]
Authors of publication	Ru, Zong-Ling
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	9
Pages of publication	m1079
a	7.719 ± 0.001 Å
b	10.8997 ± 0.0016 Å
c	16.302 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1371.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0326
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0656
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
181202 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/81.	2228104.cif 2228104.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2228104.cif 2228104.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228104.cif 2228104.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2228104.cif 2228104.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228104.cif 2228104.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2228104.cif 2228104.hkl
5141	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2228104 via cif-deposit CGI script.	2228104.cif