Crystallography Open Database

Information card for entry 7106337

Preview

Coordinates	7106337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cl4 N2 Re
Calculated formula	C12 H12 Cl4 N2 Re
SMILES	Cl[Re]1(Cl)([n]2ccc(cc2c2cc(cc[n]12)C)C)(Cl)Cl
Title of publication	Rhenium(IV) compounds inducing apoptosis in cancer cells
Authors of publication	Jose Martinez-Lillo; Teresa F. Mastropietro; Rosamaria Lappano; Antonio Madeo; Marta E. Alberto; Nino Russo; Marcello Maggiolini; Giovanni De Munno
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	5283
a	6.964 ± 0.0002 Å
b	13.4511 ± 0.0004 Å
c	17.4989 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1639.18 ± 0.08 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0192
Weighted residual factors for significantly intense reflections	0.0482
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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