Crystallography Open Database

Information card for entry 7710299

Preview

Coordinates	7710299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H35.51 Cd3 N6.5 O22.5
Calculated formula	C48 H24 Cd2.9999 N6 O18
Title of publication	Three-pole wheel paddle luminescent metal organic frameworks (LMOFs) based on the oxygen substituted triazine tricarboxylic acid ligand: recognition and detection of small drug molecules and aromatic amine molecules.
Authors of publication	Xiao, Yao; You, Zi Xin; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	24
Pages of publication	9336 - 9347
a	17.118 ± 0.003 Å
b	17.118 ± 0.003 Å
c	13.766 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	3493.4 ± 1.8 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	0.1385
Residual factor for significantly intense reflections	0.0965
Weighted residual factors for significantly intense reflections	0.2761
Weighted residual factors for all reflections included in the refinement	0.2965
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276613 (current)	2022-07-06	cif/ Updating files of 7710299, 7710300 Original log message: Adding full bibliography for 7710299--7710300.cif.	7710299.cif
275601	2022-05-22	cif/ Adding structures of 7710299, 7710300 via cif-deposit CGI script.	7710299.cif