Crystallography Open Database

Information card for entry 7026517

Preview

Coordinates	7026517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H51 Cl2 Co2 N2 O13 P3 Sb2
Calculated formula	C36 H51 Cl2 Co2 N2 O13 P3 Sb2
SMILES	[Sb]1234(O[Sb]567(c8ccc(cc8)Cl)OP(C(C)(C)C)(=[O][Co]8([n]9ccccc9)[O]=P(C(C)(C)C)(O1)O[Co]([n]1ccccc1)([O]46)([O]=P(C(C)(C)C)(O8)O7)([O]3C)[O]5C)O2)c1ccc(cc1)Cl
Title of publication	Synthesis and structural and magnetic characterisation of cobalt(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	40
Pages of publication	9588 - 9597
a	9.9052 ± 0.0002 Å
b	22.5257 ± 0.0005 Å
c	20.5666 ± 0.0004 Å
α	90°
β	91.694 ± 0.002°
γ	90°
Cell volume	4586.85 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0542
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179971 (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 7/02/65.	7026517.cif
93520	2014-01-13	cif/ Adding structures of 7026506, 7026507, 7026508, 7026509, 7026510, 7026511, 7026512, 7026513, 7026514, 7026515, 7026516, 7026517 via cif-deposit CGI script.	7026517.cif