Crystallography Open Database

Information card for entry 4348302

Preview

Coordinates	4348302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H8 Mn N2 O7
Calculated formula	C5 H8 Mn N2 O7
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	5.2909 ± 0.0002 Å
b	12.0901 ± 0.0005 Å
c	13.9601 ± 0.0005 Å
α	90°
β	90.199 ± 0.002°
γ	90°
Cell volume	892.99 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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.	4348302.cif