Crystallography Open Database

Information card for entry 7048446

Preview

Coordinates	7048446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H66 Cd2 N14 O12
Calculated formula	C78 H62 Cd2 N14 O12
Title of publication	Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.
Authors of publication	Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1900 - 1905
a	10.2023 ± 0.0012 Å
b	11.5349 ± 0.0014 Å
c	17.274 ± 0.002 Å
α	99.987 ± 0.001°
β	93.293 ± 0.001°
γ	103.859 ± 0.001°
Cell volume	1933.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
224007 (current)	2019-11-07	cif/ Updating files of 7048445, 7048446, 7048447, 7048448, 7048449, 7048450 Original log message: Adding full bibliography for 7048445--7048450.cif.	7048446.cif
212936	2019-01-11	cif/ Adding structures of 7048445, 7048446, 7048447, 7048448, 7048449, 7048450 via cif-deposit CGI script.	7048446.cif