Crystallography Open Database

Information card for entry 7721109

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Coordinates	7721109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 Br Cl Mn N O4
Calculated formula	C9 H13 Br Cl Mn N O4
Title of publication	A Ligand in the Metal Salt Sea: Extreme Metal-to-Ligand Ratios and the Thermodynamic Driving Force of the Halogen Bond
Authors of publication	Yardan, Alper
Journal of publication	Dalton Transactions
Year of publication	2026
a	13.709 ± 0.004 Å
b	11.736 ± 0.003 Å
c	6.053 ± 0.002 Å
α	103.06 ± 0.03°
β	99.84 ± 0.02°
γ	95.33 ± 0.03°
Cell volume	925.9 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.0868
Goodness-of-fit parameter for all reflections	1.529
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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