Crystallography Open Database

Information card for entry 4327818

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Structure parameters

Formula	C48 H76 Gd4 O28
Calculated formula	C48 H76 Gd4 O28
SMILES	C1(=[O]2[Gd]34([O]=C(C=C(C)O3)C)([OH2])([O]3=C(C)[O]5[Gd]6723(O1)(OC(=CC(=[O]7)C)C)(OC(=CC(C)=[O]6)C)[O]1C(=[O]2[Gd]36([O]7C(C)=[O][Gd]895127([O]=C(C=C(O8)C)C)OC(=CC(C)=[O]9)C)([O]=C(C=C(C)O3)C)([O]=C(C)C=C(C)O6)([OH2])[OH2])C)([O]=C(C)C=C(C)O4)[OH2])C
Title of publication	Polynuclear and Polymeric Gadolinium Acetate Derivatives with Large Magnetocaloric Effect
Authors of publication	Fu-Sheng Guo; Ji-Dong Leng; Jun-Liang Liu; Zhao-Sha Meng; Ming-Liang Tong
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	405 - 413
a	11.6327 ± 0.0003 Å
b	11.7971 ± 0.0004 Å
c	13.6862 ± 0.0003 Å
α	106.643 ± 0.001°
β	113.051 ± 0.001°
γ	102.055 ± 0.001°
Cell volume	1542.17 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4327818.cif
179381	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78.	4327818.cif
76740	2013-03-21	cif/ Adding structures of 4327818 via cif-deposit CGI script.	4327818.cif