Crystallography Open Database

Information card for entry 4310158

Preview

Coordinates	4310158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Cu N2 O6
Calculated formula	C22 H16 Cu N2 O6.2
Title of publication	Transformation from a 2D Stacked Layer to 3D Interpenetrated Framework by Changing the Spacer Functionality: Synthesis, Structure, Adsorption, and Magnetic Properties
Authors of publication	Tapas Kumar Maji; Masaaki Ohba; Susumu Kitagawa
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	9225 - 9231
a	11.028 ± 0.019 Å
b	11.16 ± 0.03 Å
c	7.678 ± 0.013 Å
α	90°
β	103.3 ± 0.05°
γ	90°
Cell volume	920 ± 3 Å³
Cell temperature	223.2 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 significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4310158.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310158.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310158.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4310158.cif