Crystallography Open Database

Information card for entry 7245826

Preview

Coordinates	7245826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25
Calculated formula	C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25
Title of publication	Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster
Authors of publication	Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	1
Pages of publication	114 - 121
a	36.495 ± 0.0004 Å
b	16.3703 ± 0.0002 Å
c	60.2225 ± 0.0006 Å
α	90°
β	127.005 ± 0.001°
γ	90°
Cell volume	28732.2 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.1933
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281402 (current)	2023-03-04	cif/ Updating files of 7245826 Original log message: Adding full bibliography for 7245826.cif.	7245826.cif
279273	2022-11-15	cif/ Adding structures of 7245826 via cif-deposit CGI script.	7245826.cif