Crystallography Open Database

Information card for entry 1574170

Preview

Coordinates	1574170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H80 In8 O64
Calculated formula	C176 H88 In8 O68
Title of publication	Reticular chemistry guided function customization: a case study of constructing low-polarity channels for efficient C3H6/C2H4 separation
Authors of publication	Li, Jiantang; Song, Zitong; Zhou, Xia; Wang, Xue; Feng, Meng; Wang, Dongmei; Chen, Banglin
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	17
Pages of publication	7411 - 7417
a	24.3316 ± 0.0019 Å
b	30.387 ± 0.002 Å
c	18.6976 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	13824.3 ± 1.6 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	42
Hermann-Mauguin space group symbol	F m m 2
Hall space group symbol	F 2 -2
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1701
Weighted residual factors for all reflections included in the refinement	0.1751
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300581 (current)	2025-07-06	cif/ Updating files of 1574170 Original log message: Adding full bibliography for 1574170.cif.	1574170.cif
298477	2025-03-18	cif/ Adding structures of 1574170 via cif-deposit CGI script.	1574170.cif