Crystallography Open Database

Information card for entry 1546414

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Coordinates	1546414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C236 H503 Dy52 N53 Ni52 O407
Calculated formula	C236 H283 Dy52 N53 Ni52 O407
Title of publication	Lantern-shaped 3d–4f high-nuclearity clusters with magnetocaloric effect
Authors of publication	Lin, Qingfang; Li, Jing; Dong, Yayu; Zhou, Guangpeng; Song, You; Xu, Yan
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	30
Pages of publication	9745 - 9749
a	28.62 ± 0.003 Å
b	41.352 ± 0.004 Å
c	29.564 ± 0.003 Å
α	90°
β	108.087 ± 0.001°
γ	90°
Cell volume	33260 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1259
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.2128
Weighted residual factors for all reflections included in the refinement	0.2421
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1546414.cif
198187	2017-06-28	cif/ Adding structures of 1546414, 1546415 via cif-deposit CGI script.	1546414.cif