Crystallography Open Database

Information card for entry 7024257

Preview

Coordinates	7024257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H88 Cl2 Cu4 N6 O22 P6 Sb2
Calculated formula	C60 H88 Cl2 Cu4 N6 O22 P6 Sb2
SMILES	[Sb]1234(c5ccc(cc5)Cl)O[Cu]56([n]7ccccc7)[O]=P7(C(C)(C)C)O[Sb]89(c%10ccc(cc%10)Cl)(OP(C(C)(C)C)(O[Cu]%10([n]%11ccccc%11)([O]=P(C(C)(C)C)(O1)O[Cu]([n]1ccccc1)([O]2%10)[O]=P(O3)(C(C)(C)C)O[Cu]([n]1ccccc1)(O8)(OP(O9)(C(C)(C)C)=O)O7)[O]=P(O4)(C(C)(C)C)O6)=O)O5.N#CC.N#CC
Title of publication	Synthesis and structural and magnetic characterisation of copper(II) complexes of mixed phosphonate-antimonate ligands.
Authors of publication	Ali, Shoaib; Muryn, Christopher A.; Tuna, Floriana; Winpenny, Richard E. P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	1
Pages of publication	124 - 131
a	15.002 ± 0.0004 Å
b	17.3532 ± 0.0006 Å
c	16.0039 ± 0.0004 Å
α	90°
β	90.349 ± 0.002°
γ	90°
Cell volume	4166.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
179947 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/42.	7024257.cif
92311	2014-01-12	cif/ Adding structures of 7024256, 7024257, 7024258, 7024259 via cif-deposit CGI script.	7024257.cif