Crystallography Open Database

Information card for entry 7109132

Preview

Coordinates	7109132.cif
Original paper (by DOI)	HTML
External links	PubChem

Structure parameters

Formula	C104 H192 Co6 Gd4 N10 Na2 O44 P6
Calculated formula	C104 H192 Co6 Gd4 N10 Na2 O44 P6
SMILES	C12(CCCCC1)[NH2][Co]1([O]3P42=[O][Gd]2567([O]=P89C%10(CCCCC%10)[NH2][Co]%10%11%12%13[O]%14P%15%16C%17(CCCCC%17)[NH2][Co]%14([NH2]C%14(P%17%18[O]%19[Co]%20%21OP%22(C%23(CCCCC%23)[NH2][Co]%24%253([O]%22[Gd]3%19(O4)([O]%13%18)([O]=C(C(C)(C)C)O3)(OC(C(C)(C)C)=[O]%21)[O]%11%25)[O]3P([O]%13[Co](O9)([O]=C(C(C)(C)C)O[Gd]43%13(O%16)([O]8%10)(OC(C(C)(C)C)=[O]4)[O]%12%24)OC(C(C)(C)C)=[O]5)(=[O]2)C2([NH2]1)CCCCC2)=[O][Gd]12([O]=%15)([O]=%17)([O]=C(C(C)(C)C)O2)(OC(C(C)(C)C)=[O]%20)[O]=C(C(C)(C)C)O1)CCCCC%14)OC(=O)C(C)(C)C)([O]=C(C(C)(C)C)O7)[O]=C(C(C)(C)C)O6)OC(=O)C(C)(C)C.CC#N.C(#N)C.CC#N.C(C)#N.[Na+].[Na+]
Title of publication	Molecular amino-phosphonate cobalt-lanthanide clusters
Authors of publication	Eufemio Moreno Pineda; Floriana Tuna; Robin G. Pritchard; Andrew C. Regan; Richard E. P. Winpenny; Eric J. L. McInnes
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	3522
a	15.8683 ± 0.0005 Å
b	27.0973 ± 0.0008 Å
c	19.4683 ± 0.0006 Å
α	90°
β	112.274 ± 0.003°
γ	90°
Cell volume	7746.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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	0.0799
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301853 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure.	7109132.cif
180195	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/91.	7109132.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7109132.cif
79700	2013-04-05	cif/ Adding structures of 7109130, 7109131, 7109132 via cif-deposit CGI script.	7109132.cif