Crystallography Open Database

Information card for entry 4324173

Preview

Coordinates	4324173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Cu2 N4 O17 P4
Calculated formula	C20 H20 Cu2 N4 O17 P4
Title of publication	Pyrophosphate-Mediated Magnetic Interactions in Cu(II) Coordination Complexes
Authors of publication	Nadia Marino; Oluwatayo. F. Ikotun; Miguel Julve; Francesc Lloret; Juan Cano; Robert P. Doyle
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	378 - 389
a	8.4735 ± 0.0008 Å
b	9.7033 ± 0.0009 Å
c	9.8403 ± 0.0009 Å
α	93.399 ± 0.002°
β	110.835 ± 0.002°
γ	104.247 ± 0.002°
Cell volume	723.22 ± 0.12 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 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	0.0358
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
179344 (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 4/32/41.	4324173.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324173.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324173.cif
24464	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324173 via cif-deposit CGI script.	4324173.cif