Crystallography Open Database

Information card for entry 7048226

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Coordinates	7048226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H36 Fe O2
Calculated formula	C35 H36 Fe O2
Title of publication	Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.
Authors of publication	Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	18
Pages of publication	5952 - 5964
a	6.1976 ± 0.0006 Å
b	19.6861 ± 0.0019 Å
c	11.2319 ± 0.0011 Å
α	90°
β	96.743 ± 0.002°
γ	90°
Cell volume	1360.9 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.51 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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