Crystallography Open Database

Information card for entry 7211794

Preview

Coordinates	7211794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H43 Cl2 Cu3 N9 O18
Calculated formula	C40 H39 Cl2 Cu3 N9 O18
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	29.09 ± 0.004 Å
b	9.1837 ± 0.0011 Å
c	21.114 ± 0.003 Å
α	90°
β	127.764 ± 0.001°
γ	90°
Cell volume	4459.2 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
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.	7211794.cif
92383	2014-01-12	cif/ Adding structures of 7211793, 7211794 via cif-deposit CGI script.	7211794.cif