Crystallography Open Database

Information card for entry 7108799

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Coordinates	7108799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H232 Gd24 N36 O134
Calculated formula	C126 H204 Gd24 N36 O134
Title of publication	A 24-Gd nanocapsule with a large magnetocaloric effect
Authors of publication	Li-Xian Chang; Gang Xiong; Li Wang; Peng Cheng; Bin Zhao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	11
Pages of publication	1055 - 1057
a	18.5577 ± 0.0007 Å
b	18.6531 ± 0.0007 Å
c	24.5481 ± 0.0009 Å
α	70.309 ± 0.003°
β	71.744 ± 0.003°
γ	62.202 ± 0.004°
Cell volume	6951.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0504
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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