Crystallography Open Database

Information card for entry 7063470

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Coordinates	7063470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64 Cu2 Fe O14 P2
Calculated formula	C38 H64 Cu2 Fe O14 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	10.13 ± 0.004 Å
b	11.153 ± 0.002 Å
c	12.193 ± 0.002 Å
α	117.157 ± 0.002°
β	97.065 ± 0.003°
γ	102.71 ± 0.004°
Cell volume	1155.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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