Crystallography Open Database

Information card for entry 7062080

7062079 << 7062080 >> 7062081

Preview

Coordinates	7062080.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CUST-751
Formula	C49 H53 N15 O24 S2 Zn3
Calculated formula	C49 H40.25 N15 O19 S2 Zn3
Title of publication	Two new transition metal–organic frameworks as multiresponsive fluorescence sensors for detecting Fe3+, Cr2O72− and TNP
Authors of publication	Li, Jun-Jun; Feng, Zhen-Jie; Wu, Xue-Song; Li, Ying; Wu, Di; Sun, Jing; Wang, Xin-Long; Su, Zhong-Min
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	47
Pages of publication	22739 - 22745
a	9.681 ± 0.005 Å
b	26.421 ± 0.005 Å
c	12.241 ± 0.005 Å
α	90°
β	106.845 ± 0.005°
γ	90°
Cell volume	2997 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
280197 (current)	2023-01-06	cif/ Updating files of 7062079, 7062080 Original log message: Adding full bibliography for 7062079--7062080.cif.	7062080.cif
279372	2022-11-18	cif/ Adding structures of 7062079, 7062080 via cif-deposit CGI script.	7062080.cif