Crystallography Open Database

Information card for entry 4324439

Preview

Coordinates	4324439.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	copperphosphonate
Formula	C52 H71 Cu4 N4 O15 P
Calculated formula	C52 H71 Cu4 N4 O15 P
Title of publication	Rational Assembly of Soluble Copper(II) Phosphonates: Synthesis, Structure and Magnetism of Molecular Tetranuclear Copper(II) Phosphonates
Authors of publication	Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; E. Carolina Sañudo
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1420 - 1428
a	13.168 ± 0.005 Å
b	14.028 ± 0.005 Å
c	16.709 ± 0.005 Å
α	75.594 ± 0.005°
β	76.835 ± 0.005°
γ	67.154 ± 0.005°
Cell volume	2725 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1227
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.2291
Weighted residual factors for all reflections included in the refinement	0.2682
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179347 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44.	4324439.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324439.cif
41147	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324439 via cif-deposit CGI script.	4324439.cif