Crystallography Open Database

Information card for entry 4507702

Preview

Coordinates	4507702.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bi-3,4-pyridine dicarboxylate
Formula	C7 H3 Bi N O5
Calculated formula	C7 H3 Bi N O5
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	7.2623 ± 0.0013 Å
b	7.5389 ± 0.0012 Å
c	8.1125 ± 0.0014 Å
α	97.699 ± 0.006°
β	101.048 ± 0.006°
γ	113.21 ± 0.005°
Cell volume	389.69 ± 0.12 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	0.0408
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
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.	4507702.cif
85632	2013-05-07	cif/ Adding structures of 4507700, 4507701, 4507702 via cif-deposit CGI script.	4507702.cif