Crystallography Open Database

Information card for entry 7112424

Preview

Coordinates	7112424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H111 Dy12 N18 O65
Calculated formula	C63 H39 Dy12 N18 O65.005
Title of publication	A 24-Gd nanocapsule with a large magnetocaloric effect.
Authors of publication	Chang, Li-Xian; Xiong, Gang; Wang, Li; Cheng, Peng; Zhao, Bin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	11
Pages of publication	1055 - 1057
a	18.4912 ± 0.0007 Å
b	18.7881 ± 0.0007 Å
c	24.6429 ± 0.0006 Å
α	70.008 ± 0.003°
β	71.465 ± 0.003°
γ	62.324 ± 0.004°
Cell volume	6993.5 ± 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	0.0701
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7108798
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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