Crystallography Open Database

Information card for entry 2019905

2019904 << 2019905 >> 2019906

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Coordinates	2019905.cif
Structure factors	2019905.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ μ-4,4'-(ethene-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']
Formula	C36 H44 Gd2 N2 O14
Calculated formula	C36 H44 Gd2 N2 O14
SMILES	[Gd]1234([OH2])([O]=C(O1)/C=C/C)([O]=C(/C=C/C)O2)([O]=C(/C=C/C)[O]3[Gd]123([O]=C(/C=C/C)[O]43)([O]=C(O1)/C=C/C)([O]=C(O2)/C=C/C)([OH2])[n]1ccc(cc1)/C=C/c1ccncc1)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Gd]1234([OH2])([O]=C(O1)/C=C/C)([O]=C(/C=C/C)O2)[O]=C(/C=C/C)[O]3[Gd]123([O]=C(/C=C/C)[O]43)([O]=C(O1)/C=C/C)([O]=C(O2)/C=C/C)[OH2]
Title of publication	Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands
Authors of publication	Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	4
a	8.5736 ± 0.0019 Å
b	10.436 ± 0.002 Å
c	11.995 ± 0.003 Å
α	66.935 ± 0.004°
β	74.909 ± 0.004°
γ	86.261 ± 0.004°
Cell volume	952.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181869 (current)	2016-04-06	hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99.	2019905.cif 2019905.hkl
180867	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/99.	2019905.cif 2019905.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019905.cif 2019905.hkl
134089	2015-03-19	cif/ hkl/ Adding structures of 2019903, 2019904, 2019905 via cif-deposit CGI script.	2019905.cif 2019905.hkl