Crystallography Open Database

Information card for entry 4324176

Preview

Coordinates	4324176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H86 Cu4 N12 O39 P4
Calculated formula	C48 H26 Cu4 N12 O39 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	12.942 ± 0.005 Å
b	21.485 ± 0.008 Å
c	13.046 ± 0.008 Å
α	90°
β	91.646 ± 0.006°
γ	90°
Cell volume	3626 ± 3 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1888
Weighted residual factors for all reflections included in the refinement	0.2216
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	4324176.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324176.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324176.cif
24467	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324176 via cif-deposit CGI script.	4324176.cif