Crystallography Open Database

Information card for entry 4506943

Preview

Coordinates	4506943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Cu2 Mo2 N4 O14 P2
Calculated formula	C28 H26 Cu2 Mo2 N4 O14 P2
Title of publication	Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies
Authors of publication	Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5579
a	11.13 ± 0.006 Å
b	12.406 ± 0.007 Å
c	13.926 ± 0.007 Å
α	71.952 ± 0.008°
β	72.257 ± 0.008°
γ	64.876 ± 0.007°
Cell volume	1621.4 ± 1.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179605 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/69.	4506943.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506943.cif
71899	2013-01-21	cif/ Adding structures of 4506938, 4506939, 4506940, 4506941, 4506942, 4506943 via cif-deposit CGI script.	4506943.cif