Crystallography Open Database

Information card for entry 7048449

Preview

Coordinates	7048449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H48 N12 O9 Zn2
Calculated formula	C62 H46 N12 O9 Zn2
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	26.882 ± 0.003 Å
b	10.8337 ± 0.0013 Å
c	21.914 ± 0.003 Å
α	90°
β	91.584 ± 0.002°
γ	90°
Cell volume	6379.6 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	0.626
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.	7048449.cif
212936	2019-01-11	cif/ Adding structures of 7048445, 7048446, 7048447, 7048448, 7048449, 7048450 via cif-deposit CGI script.	7048449.cif