Crystallography Open Database

Information card for entry 4348305

Preview

Coordinates	4348305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H13 N5 Ni O5
Calculated formula	C20 H13 N5 Ni O5
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	10.3949 ± 0.0002 Å
b	11.3275 ± 0.0002 Å
c	18.6129 ± 0.0003 Å
α	90°
β	102.999 ± 0.001°
γ	90°
Cell volume	2135.47 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4348305.cif