Crystallography Open Database

Information card for entry 8102554

Preview

Coordinates	8102554.cif

Structure parameters

Common name	poly[[diaquatris(μ-benzene-1,4-dioxydiacetato)digadolinium(III)]dihydrate]
Chemical name	poly[[diaquatris(μ-benzene-1,4-dioxydiacetato)digadolinium(III)]dihydrate]
Formula	C15 H16 Gd O11
Calculated formula	C15 H16 Gd O11
Title of publication	Crystal structure of diaquatris(m-benzene-1,4-dioxydiacetato)digadolinium(III) dihydrate, Gd2(H2O)2(C10H8O6)3 · 2H2O
Authors of publication	Ya-Feng Li; Cui-Li Shi; Yong-Sheng Hu; Long Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	637
a	12.123 ± 0.002 Å
b	16.7 ± 0.003 Å
c	8.9385 ± 0.0018 Å
α	90°
β	109.25 ± 0.03°
γ	90°
Cell volume	1708.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102554.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102554.cif
13293	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102554 via cif-deposit CGI script.	8102554.cif