Crystallography Open Database

Information card for entry 4511158

Preview

Coordinates	4511158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H82 Cu2 Fe3 N38 O5
Calculated formula	C52 H72 Cu2 Fe3 N38 O5
Title of publication	Novel Bimetallic-Dicyanamide Extended Two- and Three-Dimensional Networks through [Cu(rac-CTH)]2+Cation Templation
Authors of publication	Suárez-Varela, José; Moreno, José María; Maimoun, Ikram Ben; Lloret, Francesc; Mrozinski, Jerzy; Kivekäs, Raikko; Colacio, Enrique
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	9
Pages of publication	4102
a	29.846 ± 0.017 Å
b	21.31 ± 0.008 Å
c	12.09 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	7689 ± 7 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
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	0.2209
Residual factor for significantly intense reflections	0.1109
Weighted residual factors for significantly intense reflections	0.2737
Weighted residual factors for all reflections included in the refinement	0.3328
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179658 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/11.	4511158.cif
114719	2014-05-29	cif/ Adding structures of 4511156, 4511157, 4511158 via cif-deposit CGI script.	4511158.cif