Crystallography Open Database

Information card for entry 7714216

Preview

Coordinates	7714216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Cl2 F6 N6 O10 P Re
Calculated formula	C40 H52 Cl2 F6 N6 O10 P Re
Title of publication	In vivo and in vitro studies of [M(η6-pseudoerlotinib)2]+ sandwich complexes (M = Re, 99mTc)
Authors of publication	Battistin, Federica; Fernandes, Célia; Raposinho, Paula D.; Blacque, Olivier; Paulo, António Rocha; Alberto, Roger
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.0615 ± 0.0001 Å
b	13.8305 ± 0.0003 Å
c	16.0904 ± 0.0003 Å
α	73.359 ± 0.002°
β	71.753 ± 0.001°
γ	75.769 ± 0.001°
Cell volume	2206.68 ± 0.07 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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