Crystallography Open Database

Information card for entry 4517563

Preview

Coordinates	4517563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C231 H144 O32 Zr6
Calculated formula	C229.5 H144 O32 Zr6
Title of publication	Interpenetrated Metal-Organic Frameworks with <b>ftw</b> Topology and Versatile Functions.
Authors of publication	Duan, Zhigang; Li, Yue; Xiao, Xue; Huang, Xiaoli; Li, Xiaoteng; Li, Yiyang; Zhang, Chong; Zhang, Hang; Li, Lin; Lin, Zhihua; Zhao, Yonggang; Huang, Wei
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
Journal volume	12
Journal issue	16
Pages of publication	18715 - 18722
a	35.6432 ± 0.0009 Å
b	35.6432 ± 0.0009 Å
c	43.654 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	48029 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.206
Weighted residual factors for all reflections included in the refinement	0.2239
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
251420 (current)	2020-05-04	cif/ Updating files of 4517562, 4517563 Original log message: Adding full bibliography for 4517562--4517563.cif.	4517563.cif
250683	2020-04-14	cif/ Adding structures of 4517563 via cif-deposit CGI script.	4517563.cif