Crystallography Open Database

Information card for entry 7234886

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Coordinates	7234886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 B F2 N5 O4
Calculated formula	C18 H18 B F2 N5 O4
Title of publication	Aggregation-induced emission enhancement in boron difluoride complexes of 3-cyanoformazanates
Authors of publication	Ryan R. Maar; Joe B. Gilroy
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	6478 - 6482
a	14.74 ± 0.003 Å
b	14.827 ± 0.003 Å
c	18.17 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3971.1 ± 1.4 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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