Crystallography Open Database

Information card for entry 7061495

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Coordinates	7061495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H96 Cd9 N18 O26
Calculated formula	C108 H96 Cd9 N18 O26
Title of publication	Anion-induced two stable isostructural Cd(ii) LMOFs based on benzotriazole with the highly selective detection of Fe3+ ions
Authors of publication	Shao, Juan-Juan; Ni, Jian-Ling; Mensah, Abraham; Liang, Yu; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	22
Pages of publication	10927 - 10933
a	19.3724 ± 0.0003 Å
b	19.3724 ± 0.0003 Å
c	9.8552 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	3203.04 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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