Crystallography Open Database

Information card for entry 7211793

Preview

Coordinates	7211793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Cu N3 O9
Calculated formula	C18 H21 Cu N3 O9
Title of publication	Structure and physical properties of substituted malonate divalent metal coordination polymers with dipyridylamine co-ligands: acentric chain, herringbone layer, and novel binodal network topologies
Authors of publication	Farnum, Gregory A.; Nettleman, Joseph H.; LaDuca, Robert L.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	888
a	20.258 ± 0.003 Å
b	4.7728 ± 0.0006 Å
c	21.145 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2044.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.043
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
180448 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/17.	7211793.cif
92383	2014-01-12	cif/ Adding structures of 7211793, 7211794 via cif-deposit CGI script.	7211793.cif