Crystallography Open Database

Information card for entry 1565696

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Coordinates	1565696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H116 Cl6 Gd6 N20 O14
Calculated formula	C40 H112 Cl6 Gd6 N20 O12
Title of publication	A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine
Authors of publication	Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	499
Pages of publication	119201
a	17.4291 ± 0.0008 Å
b	9.9011 ± 0.0004 Å
c	22.5403 ± 0.001 Å
α	90°
β	108.555 ± 0.002°
γ	90°
Cell volume	3687.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
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	0.0759
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.171
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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