Crystallography Open Database

Information card for entry 7700475

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Coordinates	7700475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H9 F5 N4
Calculated formula	C15 H9 F5 N4
Title of publication	Facile synthesis of 1,5-disubstituted tetrazoles by reacting a ruthenium acetylide complex with trimethylsilyl azide.
Authors of publication	Chang, Chao-Wan; Cheng, Ming-Chuan; Lee, Gene-Hsiang; Peng, Shie-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	31
Pages of publication	11732 - 11742
a	7.6879 ± 0.0002 Å
b	5.9905 ± 0.0001 Å
c	15.1858 ± 0.0004 Å
α	90°
β	93.2052 ± 0.0008°
γ	90°
Cell volume	698.28 ± 0.03 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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