Crystallography Open Database

Information card for entry 4348380

Preview

Coordinates	4348380.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	poly-[(mu3-adeninato-k3-N3:N7:N9)(mu-butanoato-k2-O,O')nickel(II)]
Formula	C18 H22 N10 Ni2 O4
Calculated formula	C18 H22 N10 Ni2 O4
Title of publication	Towards multicomponent MOFs via solvent-free synthesis under conventional oven and microwave assisted heating
Authors of publication	Lanchas, Mónica; Arcediano, Sandra; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	5
Pages of publication	425
a	15.1973 ± 0.0005 Å
b	15.1973 ± 0.0005 Å
c	22.1529 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5116.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1204
Residual factor for significantly intense reflections	0.1155
Weighted residual factors for significantly intense reflections	0.2708
Weighted residual factors for all reflections included in the refinement	0.274
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232895 (current)	2019-11-23	cif/ Adding structures of 4348380, 4348381, 4348382, 4348383 via cif-deposit CGI script.	4348380.cif