Crystallography Open Database

Information card for entry 7048224

Preview

Coordinates	7048224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.67 H33.33 Fe O2.33
Calculated formula	C29.6667 H36 Fe O2.33333
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	12.297 ± 0.0017 Å
b	12.7497 ± 0.0019 Å
c	25.59 ± 0.003 Å
α	88.487 ± 0.003°
β	82.088 ± 0.004°
γ	65.822 ± 0.003°
Cell volume	3623.3 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1773
Weighted residual factors for all reflections included in the refinement	0.1937
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224414 (current)	2019-11-08	cif/ Updating files of 7048224, 7048225, 7048226, 7048227, 7048228, 7048229 Original log message: Adding full bibliography for 7048224--7048229.cif.	7048224.cif
212124	2018-11-23	cif/ Adding structures of 7048224, 7048225, 7048226, 7048227, 7048228, 7048229 via cif-deposit CGI script.	7048224.cif