Crystallography Open Database

Information card for entry 7710126

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Coordinates	7710126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H23 B18 Cs Fe I2 N
Calculated formula	C6 H23 B18 Cs Fe I2 N
Title of publication	Water soluble organometallic small molecules as promising antibacterial agents: synthesis, physical–chemical properties and biological evaluation to tackle bacterial infections
Authors of publication	Bennour, Ines; Ramos, M. Núria; Nuez-Martínez, Miquel; Xavier, Jewel Ann Maria; Buades, Ana B.; Sillanpää, Reijo; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Romero, Isabel; Martinez-Medina, Margarita; Viñas, Clara
Journal of publication	Dalton Transactions
Year of publication	2022
a	21.9678 ± 0.0007 Å
b	12.5135 ± 0.0004 Å
c	8.9201 ± 0.0003 Å
α	90°
β	105.422 ± 0.001°
γ	90°
Cell volume	2363.79 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.65 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.82652 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
274703 (current)	2022-04-27	cif/ Adding structures of 7710126, 7710127 via cif-deposit CGI script.	7710126.cif