Crystallography Open Database

Information card for entry 7211237

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Structure parameters

Formula	C20 H17 Bi Cl4 N4 O2
Calculated formula	C20 H17 Bi Cl4 N4 O2
Title of publication	Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks
Authors of publication	Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	42
Pages of publication	8565
a	23.695 ± 0.001 Å
b	26.6618 ± 0.001 Å
c	7.2913 ± 0.0005 Å
α	90°
β	95.95 ± 0.01°
γ	90°
Cell volume	4581.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0999
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7211237.cif
180443	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/12.	7211237.cif
90237	2013-11-17	cif/ Adding structures of 7211237, 7211238, 7211239, 7211240, 7211241 via cif-deposit CGI script.	7211237.cif