Crystallography Open Database

Information card for entry 7017585

Preview

Coordinates	7017585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Bi N3 O9
Calculated formula	C24 H18 Bi N3 O9
SMILES	[Bi]12(OC(=O)c3[n]1cccc3O)(OC(=O)c1[n]2cccc1O)(OC(=O)c1[nH+]cccc1O)c1ccccc1
Title of publication	Structural motifs in phenylbismuth heterocyclic carboxylates‒secondary interactions leading to oligomers.
Authors of publication	Anjaneyulu, O.; Maddileti, D.; Kumara Swamy, K. C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	3
Pages of publication	1004 - 1012
a	9.6708 ± 0.001 Å
b	11.4133 ± 0.0012 Å
c	11.541 ± 0.0012 Å
α	77.802 ± 0.002°
β	78.026 ± 0.003°
γ	72.353 ± 0.002°
Cell volume	1172.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179879 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/75.	7017585.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017585.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017585.cif
33365	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7017585, 7017586, 7017587, 7017588, 7017589, 7017590, 7017591 via cif-deposit CGI script.	7017585.cif