Crystallography Open Database

Information card for entry 4324438

Preview

Coordinates	4324438.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	copperphosphonate
Formula	C49 H63 Cu4 N4 O11 P
Calculated formula	C49 H63 Cu4 N4 O11 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	11.927 ± 0.005 Å
b	14.305 ± 0.005 Å
c	16.632 ± 0.005 Å
α	74.943 ± 0.005°
β	75.092 ± 0.005°
γ	68.735 ± 0.005°
Cell volume	2511.4 ± 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	0.1562
Residual factor for significantly intense reflections	0.0915
Weighted residual factors for significantly intense reflections	0.2194
Weighted residual factors for all reflections included in the refinement	0.2674
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4324438.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324438.cif
41146	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324438 via cif-deposit CGI script.	4324438.cif