Crystallography Open Database

Information card for entry 7061022

Preview

Coordinates	7061022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H77 Cd2 N7 O11
Calculated formula	C93 H77 Cd2 N7 O11
Title of publication	Aqueous media ultra-sensitive detection of antibiotics via highly stable luminescent 3D Cadmium-based MOF
Authors of publication	Asad, Muhammad; Wang, Shan; Wang, Qian-You; Li, Lin-Ke; Anwar, Muhammad Imran; Younas, Ayesha; Zang, Shuang-Quan
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	44
Pages of publication	20887 - 20894
a	14.4126 ± 0.0002 Å
b	20.6834 ± 0.0004 Å
c	16.477 ± 0.0003 Å
α	90°
β	104.14 ± 0.002°
γ	90°
Cell volume	4763 ± 0.15 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
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
271186 (current)	2021-12-07	cif/ Updating files of 7061022 Original log message: Adding full bibliography for 7061022.cif.	7061022.cif
269964	2021-10-15	cif/ Adding structures of 7061022 via cif-deposit CGI script.	7061022.cif