Crystallography Open Database

Information card for entry 4509938

Preview

Coordinates	4509938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H30 N2 Ni2 O20
Calculated formula	C14 H30 N2 Ni2 O20
Title of publication	Supramolecular Interactions between Finite Tapes of Water Molecules and Hydrated Metal Ions To Produce Infinite Two-Dimensional Cationic Layers of Water Molecules
Authors of publication	Hundal, Geeta; Hundal, Maninder Singh; Hwang, Young Kyu; Chang, Jong San
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	172
a	7.1646 ± 0.0004 Å
b	11.6664 ± 0.0006 Å
c	16.2037 ± 0.0008 Å
α	109.485 ± 0.001°
β	96.911 ± 0.002°
γ	99.708 ± 0.002°
Cell volume	1235.61 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1907
Weighted residual factors for all reflections included in the refinement	0.1937
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509938.cif
104135	2014-03-10	cif/ Adding structures of 4509938 via cif-deposit CGI script.	4509938.cif