Crystallography Open Database

Information card for entry 7712121

Preview

Coordinates	7712121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 N4 O4
Calculated formula	C28 H16 N4 O4
SMILES	O1c2c(Oc3nc(Oc4c(Oc5nc1cnc5)cc1c(c4)cccc1)cnc3)cc1ccccc1c2
Title of publication	Luminescent MOFs constructed by using butterfly-like AIE ligands.
Authors of publication	Dong, Pan-Pan; Liu, Yuan-Yuan; Peng, Qiu-Chen; Li, Hai-Yang; Li, Kai; Zang, Shuang-Quan; Tang, Ben Zhong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	7
Pages of publication	1913 - 1918
a	7.6216 ± 0.0003 Å
b	11.792 ± 0.0005 Å
c	13.0678 ± 0.0004 Å
α	77.628 ± 0.003°
β	88.737 ± 0.003°
γ	71.633 ± 0.004°
Cell volume	1087.43 ± 0.08 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1668
Weighted residual factors for all reflections included in the refinement	0.1802
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
283316 (current)	2023-05-05	cif/ Updating files of 7712121, 7712122, 7712123, 7712124, 7712125 Original log message: Adding full bibliography for 7712121--7712125.cif.	7712121.cif
280346	2023-01-16	cif/ Adding structures of 7712121, 7712122, 7712123, 7712124, 7712125 via cif-deposit CGI script.	7712121.cif