Crystallography Open Database

Information card for entry 4301106

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Coordinates	4301106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H58 Cu2 N4 O14 P2
Calculated formula	C46 H58 Cu2 N4 O14 P2
SMILES	c1(c(cccc1C)C)OP1(=O)O[Cu]2([n]3c4c5[n]2cccc5ccc4ccc3)([OH]C)OP(=O)(O[Cu]2([n]3cccc4ccc5ccc[n]2c5c34)(O1)[OH]C)Oc1c(cccc1C)C.OC.OC.OC.OC
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	22.0352 ± 0.0013 Å
b	10.5235 ± 0.0006 Å
c	22.1141 ± 0.0013 Å
α	90°
β	108.522 ± 0.005°
γ	90°
Cell volume	4862.4 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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