Crystallography Open Database

Information card for entry 4112105

Preview

Coordinates	4112105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 Cu2 N6 O8
Calculated formula	C40 H34 Cu2 N6 O8
Title of publication	Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation
Authors of publication	Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	17152 - 17153
a	13.732 ± 0.005 Å
b	13.721 ± 0.005 Å
c	20.397 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3843 ± 2 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1647
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178892 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/21.	4112105.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112105.cif
63726	2012-08-06	cif/ Adding structures of 4112105 via cif-deposit CGI script.	4112105.cif