Crystallography Open Database

Information card for entry 4107213

Preview

Coordinates	4107213.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper benzenediphosphonateester
Chemical name	Copper benzene-1,4-diphosphonatodimethylester
Formula	C8 H10 Cu O8 P2
Calculated formula	C8 H10 Cu O8 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	18.8682 ± 0.0006 Å
b	7.0236 ± 0.0002 Å
c	9.8589 ± 0.0003 Å
α	90°
β	90.884 ± 0.003°
γ	90°
Cell volume	1306.37 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0631
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.178
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4107213.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107213.cif
54865	2012-04-30	cif/ Adding structures of 4107213 via cif-deposit CGI script.	4107213.cif