Crystallography Open Database

Information card for entry 7714217

Preview

Coordinates	7714217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104.67 H120.4 Cl1.33 F24 N12 O17.53 P4 Re4
Calculated formula	C104.667 H120.397 Cl1.3332 F24 N12 O17.532 P4 Re4
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	11.04098 ± 0.00007 Å
b	14.03029 ± 0.00009 Å
c	19.5439 ± 0.00014 Å
α	77.566 ± 0.0006°
β	84.5485 ± 0.0006°
γ	83.5136 ± 0.0005°
Cell volume	2929.77 ± 0.03 Å³
Cell temperature	160 ± 0.1 K
Ambient diffraction temperature	160 ± 0.1 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	0.0306
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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

Version history

Revision	Date	Message	Files
286947 (current)	2023-10-13	cif/ Adding structures of 7714215, 7714216, 7714217 via cif-deposit CGI script.	7714217.cif