Crystallography Open Database

Information card for entry 4330146

Preview

Coordinates	4330146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 Cu N3 O7
Calculated formula	C17 H17 Cu N3 O7
Title of publication	Topological Difference in 2D Layers Steers the Formation of Rigid and Flexible 3D Supramolecular Isomers: Impact on the Adsorption Properties
Authors of publication	Prakash Kanoo; Ryotaro Matsuda; Ryo Kitaura; Susumu Kitagawa; Tapas Kumar Maji
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9141 - 9143
a	28.923 ± 0.005 Å
b	13.373 ± 0.005 Å
c	9.993 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3865 ± 3 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1209
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.1859
Weighted residual factors for all reflections included in the refinement	0.2168
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179404 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/01.	4330146.cif
79396	2013-04-05	cif/ Adding structures of 4330146 via cif-deposit CGI script.	4330146.cif