Crystallography Open Database

Information card for entry 7058860

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Coordinates	7058860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H102 Gd6 N10 O30
Calculated formula	C72 H102 Gd6 N10 O30
Title of publication	Large magnetocaloric effect and remarkable single-molecule-magnet behavior in triangle-assembled LnIII6 clusters
Authors of publication	Wang, Wen-Min; Yue, Rong-Xin; Gao, Yu; Wang, Mei-Jiao; Hao, Sha-Sha; Shi, Ying; Kang, Xiao-Min; Wu, Zhi-Lei
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	42
Pages of publication	16639
a	11.9049 ± 0.0006 Å
b	14.4988 ± 0.0006 Å
c	15.2214 ± 0.0007 Å
α	93.079 ± 0.002°
β	106.093 ± 0.002°
γ	106.858 ± 0.0019°
Cell volume	2390.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.98 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	0.0736
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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