Crystallography Open Database

Information card for entry 7247382

Preview

Coordinates	7247382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 Cl12 Cu2 N4 O4
Calculated formula	C60 H60 Cl12 Cu2 N4 O4
Title of publication	Exploring the Potential of Tamoxifen-based Copper(II) Dichloride in Breast Cancer Therapy
Authors of publication	Kazimir, Aleksandr; Schwarze, Benedikt; Lönnecke, Peter; Jelača, Sanja; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Hey-Hawkins, Evamarie
Journal of publication	RSC Medicinal Chemistry
Year of publication	2023
a	9.0998 ± 0.0001 Å
b	18.2094 ± 0.0004 Å
c	19.584 ± 0.0004 Å
α	90°
β	90.433 ± 0.002°
γ	90°
Cell volume	3245.01 ± 0.1 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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