Crystallography Open Database

Information card for entry 4511157

Preview

Coordinates	4511157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H72 Cu2 Mn2 N32
Calculated formula	C48 H72 Cu2 Mn2 N32
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	8.772 ± 0.0007 Å
b	12.5373 ± 0.0011 Å
c	14.2431 ± 0.0012 Å
α	90°
β	99.244 ± 0.002°
γ	90°
Cell volume	1546.1 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4511157.cif
114719	2014-05-29	cif/ Adding structures of 4511156, 4511157, 4511158 via cif-deposit CGI script.	4511157.cif