Crystallography Open Database

Information card for entry 4301107

Preview

Coordinates	4301107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H74 Cu2 N4 O14 P2
Calculated formula	C54 H66 Cu2 N4 O14 P2
Title of publication	Di-, Tri-, Tetra-, and Hexanuclear Copper(II) Mono-organophosphates: Structure and Nuclearity Dependence on the Choice of Phosphorus Substituents and Auxiliary N-Donor Ligands
Authors of publication	Ramaswamy Murugavel; Subramaniam Kuppuswamy; Amarendra Nath Maity; Mayank Pratap Singh
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	183 - 192
a	12.1723 ± 0.0005 Å
b	18.5865 ± 0.0005 Å
c	13.3937 ± 0.0006 Å
α	90°
β	108.113 ± 0.004°
γ	90°
Cell volume	2880 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179049 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/11.	4301107.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301107.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301107.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301107.cif