Crystallography Open Database

Information card for entry 4511049

Preview

Coordinates	4511049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 Cu N14 O
Calculated formula	C28 H30 Cu N14 O
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	8.6729 ± 0.0009 Å
b	13.678 ± 0.0014 Å
c	14.1078 ± 0.0015 Å
α	77.424 ± 0.002°
β	76.202 ± 0.002°
γ	73.774 ± 0.002°
Cell volume	1539.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1176
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for significantly intense reflections	0.2615
Weighted residual factors for all reflections included in the refinement	0.2887
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
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.	4511049.cif
114677	2014-05-29	cif/ Adding structures of 4511047, 4511048, 4511049, 4511050 via cif-deposit CGI script.	4511049.cif