Crystallography Open Database

Information card for entry 7048227

Preview

Coordinates	7048227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 Fe O2
Calculated formula	C29 H32 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	7.5702 ± 0.0018 Å
b	12.041 ± 0.003 Å
c	12.814 ± 0.003 Å
α	90°
β	91.42 ± 0.007°
γ	90°
Cell volume	1167.7 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0965
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7048227.cif
212124	2018-11-23	cif/ Adding structures of 7048224, 7048225, 7048226, 7048227, 7048228, 7048229 via cif-deposit CGI script.	7048227.cif