Crystallography Open Database

Information card for entry 7713751

Preview

Coordinates	7713751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Br4 Mn N2 O5 S3
Calculated formula	C26 H30 Br4 Mn N2 O5 S3
Title of publication	Harnessing the Dual Antimicrobial Mode of Action with a Lipophilic Mn(II) Complex Using the Principle of the Irving-Williams Series to Completely Eradicate Staphylococcus aureus
Authors of publication	Mudarmah, Khalil; Bagale, Bijaya; Chen, Guanyu; Krause, Jeanette; Mighion, Jeffrey D.; Huang, Songping D.
Journal of publication	Dalton Transactions
Year of publication	2023
a	21.7849 ± 0.0004 Å
b	15.7021 ± 0.0004 Å
c	10.5287 ± 0.0003 Å
α	90°
β	112.132 ± 0.0011°
γ	90°
Cell volume	3336.18 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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