Crystallography Open Database

Information card for entry 1568769

Preview

Coordinates	1568769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 Cu F6 N8 O4 Ti
Calculated formula	C28 H21 Cu F6 N8 O4 Ti
Title of publication	Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4
Authors of publication	Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	17
Pages of publication	4605 - 4611
a	16.619 ± 0.003 Å
b	16.619 ± 0.003 Å
c	31.843 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	8795 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Residual factor for all reflections	0.1176
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.1992
Weighted residual factors for all reflections included in the refinement	0.2299
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
283194 (current)	2023-05-05	cif/ Updating files of 1568769, 1568770, 1568771, 1568772, 1568773, 1568774 Original log message: Adding full bibliography for 1568769--1568774.cif.	1568769.cif
282222	2023-04-04	cif/ Adding structures of 1568769, 1568770, 1568771, 1568772, 1568773, 1568774 via cif-deposit CGI script.	1568769.cif