Crystallography Open Database

Information card for entry 4339350

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Coordinates	4339350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 B N2 S4
Calculated formula	C25.186 H17.186 B N2 S4
Title of publication	Cu2+ colorimetric sensing and fluorescence enhancement and Hg2+ fluorescence diminution in "scorpionate"-like tetrathienyl-substituted boron-dipyrrins.
Authors of publication	Choi, Shin Hei; Pang, Keliang; Kim, Kibong; Churchill, David G.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	25
Pages of publication	10564 - 10577
a	10.1117 ± 0.0006 Å
b	10.1902 ± 0.0006 Å
c	13.0217 ± 0.0007 Å
α	75.635 ± 0.001°
β	71.7 ± 0.001°
γ	64.207 ± 0.001°
Cell volume	1137.19 ± 0.11 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 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	0.0919
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.237
Weighted residual factors for all reflections included in the refinement	0.2528
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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