Crystallography Open Database

Information card for entry 4507700

Preview

Coordinates	4507700.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bi-2,6-pyridine dicarboxylate
Formula	C32 H20 Bi2 N6 O18
Calculated formula	C32 H20 Bi2 N6 O18
Title of publication	Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties
Authors of publication	Sushrutha, S. R.; Natarajan, Srinivasan
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	4
Pages of publication	1743
a	7.1116 ± 0.0011 Å
b	10.9029 ± 0.0014 Å
c	12.2212 ± 0.0018 Å
α	113.391 ± 0.004°
β	97.047 ± 0.004°
γ	92.829 ± 0.004°
Cell volume	858.1 ± 0.2 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.0378
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179613 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/77.	4507700.cif
85632	2013-05-07	cif/ Adding structures of 4507700, 4507701, 4507702 via cif-deposit CGI script.	4507700.cif