Crystallography Open Database

Information card for entry 4107214

Preview

Coordinates	4107214.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper benzenediphosphonateester
Chemical name	Copper benzene-1,4-diphosphonatodiethylester
Formula	C10 H14 Cu O6 P2
Calculated formula	C10 H14 Cu O6 P2
Title of publication	Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks
Authors of publication	Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; Isaac Martens; George K. H. Shimizu; Thomas D. Daff; Mohammad Zein Aghaji; Saeid Yeganegi; Tom K. Woo
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	20048 - 20051
a	18.566 ± 0.002 Å
b	7.7903 ± 0.0006 Å
c	9.7596 ± 0.0012 Å
α	90°
β	90.748 ± 0.004°
γ	90°
Cell volume	1411.5 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
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	0.0793
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1952
Weighted residual factors for all reflections included in the refinement	0.2034
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
178818 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72.	4107214.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107214.cif
54866	2012-04-30	cif/ Adding structures of 4107214 via cif-deposit CGI script.	4107214.cif