Crystallography Open Database

Information card for entry 4348381

Preview

Coordinates	4348381.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	poly-[bis(mu-acetato-kO:kO')bis(mu-acetato-kO:kO)bis(mu3-adeninato-k3-N3:N7:N9)trizinc(II)] trihydrate
Formula	C18 H26 N10 O11 Zn3
Calculated formula	C18 H20 N10 O11 Zn3
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	9.1709 ± 0.0004 Å
b	11.7306 ± 0.0004 Å
c	12.9958 ± 0.0004 Å
α	90°
β	96.4 ± 0.003°
γ	90°
Cell volume	1389.38 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4348381.cif