Crystallography Open Database

Information card for entry 4511048

Preview

Coordinates	4511048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Cu2 N6
Calculated formula	C16 H14 Cu2 N6
Title of publication	New Copper Coordination Polymers Derived fromp- ando-BIMB via Different Reaction Approaches: Toward the Effects of Isomeric Ligands (BIMB = Bis-(imidazol-1-ylmethyl)benzene)
Authors of publication	Hu, Mei-Hong; Shen, Gui-Lan; Zhang, Jing-Xiang; Yin, Ye-Gao; Li, Dan
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	10
Pages of publication	4533
a	14.5596 ± 0.001 Å
b	13.184 ± 0.0009 Å
c	17.4423 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3348.1 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179657 (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 4/51/10.	4511048.cif
114677	2014-05-29	cif/ Adding structures of 4511047, 4511048, 4511049, 4511050 via cif-deposit CGI script.	4511048.cif