Crystallography Open Database

Information card for entry 4348303

Preview

Coordinates	4348303.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Compound 3
Formula	C5 H5 Mn N2 O6
Calculated formula	C5 H5 Mn N2 O6
Title of publication	1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties
Authors of publication	Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	3
Pages of publication	278
a	12.9385 ± 0.0003 Å
b	6.731 ± 0.0001 Å
c	17.024 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1482.6 ± 0.05 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.328
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
232868 (current)	2019-11-23	cif/ Adding structures of 4348301, 4348302, 4348303, 4348304, 4348305 via cif-deposit CGI script.	4348303.cif