Crystallography Open Database

Information card for entry 7063472

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Coordinates	7063472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H43 Fe Mn4 Ni2 O26 P2
Calculated formula	C54 H43 Fe Mn4 Ni2 O26 P2
Title of publication	Targeted design of heterotrimetallic 1-D coordination polymers based on functionalized metallocenes featuring antibacterial activity
Authors of publication	Uvarova, Marina A.; Shmelev, Maxim A.; Bekker, Olga B.; Lutsenko, Irina A.; Nefedov, Sergey E.; Eremenko, Igor L.
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	11.261 ± 0.004 Å
b	12.185 ± 0.005 Å
c	12.516 ± 0.005 Å
α	68.836 ± 0.006°
β	78.965 ± 0.007°
γ	70.326 ± 0.006°
Cell volume	1503.3 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 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 for all reflections	0.1456
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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