Crystallography Open Database

Information card for entry 7242893

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Coordinates	7242893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cl3 N3 Zn
Calculated formula	C13 H12 Cl3 N3 Zn
Title of publication	Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction
Authors of publication	Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	25
Pages of publication	4494 - 4499
a	12.1724 ± 0.0001 Å
b	9.6326 ± 0.0003 Å
c	6.7045 ± 0.0001 Å
α	104.858 ± 0.0003°
β	104.436 ± 0.0001°
γ	85.7581 ± 0.0001°
Cell volume	735.8 ± 0.03 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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 R(I) for significantly intense reflections	0.0089
Goodness-of-fit parameter for all reflections	1.29098
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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