Crystallography Open Database

Information card for entry 7060073

Preview

Coordinates	7060073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 B F2 N3 O6
Calculated formula	C22 H18 B F2 N3 O6
Title of publication	A H-aggregating fluorescent probe for recognizing both mercury and copper ions based on a dicarboxyl-pyridyl bifunctionalized difluoroboron dipyrromethene
Authors of publication	Xie, Hao-Ran; Gu, Ya-Qi; Liu, Li; Dai, Jing-Cao
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	45
Pages of publication	19713 - 19722
a	9.9602 ± 0.0002 Å
b	22.9534 ± 0.0004 Å
c	9.6447 ± 0.0001 Å
α	90°
β	93.162 ± 0.001°
γ	90°
Cell volume	2201.62 ± 0.06 Å³
Cell temperature	114 ± 2 K
Ambient diffraction temperature	114 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.2504
Weighted residual factors for all reflections included in the refinement	0.2657
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7060073.html