Crystallography Open Database

Information card for entry 7251679

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Coordinates	7251679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H20 Cl2 N8
Calculated formula	C29 H20 Cl2 N8
Title of publication	A Solvatochromic Luminescence Color Switchable Iridium(III) Complex of a Click-generated Ligand for Nitroaromatic Explosive Detection
Authors of publication	Khatua, Snehadrinarayan; Kashyap, Nimisha; Sen, Bhaskar; Baruah, Khanindram; Rabha, Monosh; Kalita, Dip Jyoti
Journal of publication	CrystEngComm
Year of publication	2026
a	6.115 ± 0.005 Å
b	13.583 ± 0.005 Å
c	16.627 ± 0.005 Å
α	103.56 ± 0.005°
β	97.239 ± 0.005°
γ	97.781 ± 0.005°
Cell volume	1312.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2469
Residual factor for significantly intense reflections	0.1374
Weighted residual factors for significantly intense reflections	0.346
Weighted residual factors for all reflections included in the refinement	0.4349
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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