Crystallography Open Database

Information card for entry 4506936

Preview

Coordinates	4506936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Cu N7 O8
Calculated formula	C16 H20 Cu N7 O8
Title of publication	A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis
Authors of publication	Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5546
a	9.5396 ± 0.0008 Å
b	9.7085 ± 0.0008 Å
c	12.6295 ± 0.0012 Å
α	74.927 ± 0.002°
β	76.612 ± 0.002°
γ	87.388 ± 0.002°
Cell volume	1098.61 ± 0.17 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	0.0437
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179605 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/69.	4506936.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506936.cif
71897	2013-01-21	cif/ Adding structures of 4506936 via cif-deposit CGI script.	4506936.cif