Crystallography Open Database

Information card for entry 4507053

Preview

Coordinates	4507053.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	picolinic acid - 2,5-hihydroxybenzoic acid
Formula	C13 H11 N O6.09
Calculated formula	C13 H11 N O6.09
Title of publication	Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)
Authors of publication	Stilinović, Vladimir; Kaitner, Branko
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5763
a	36.985 ± 0.014 Å
b	26.256 ± 0.004 Å
c	5.1348 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4986 ± 2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	0.88
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
179606 (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 4/50/70.	4507053.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507053.cif
71948	2013-01-21	cif/ Adding structures of 4507037, 4507038, 4507039, 4507040, 4507041, 4507042, 4507043, 4507044, 4507045, 4507046, 4507047, 4507048, 4507049, 4507050, 4507051, 4507052, 4507053, 4507054, 4507055, 4507056, 4507057, 4507058 via cif-deposit CGI script.	4507053.cif