Crystallography Open Database

Information card for entry 7705020

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Structure parameters

Formula	C46 H48 B Cu F4 N2 O6 P2
Calculated formula	C46 H48 B Cu F4 N2 O6 P2
Title of publication	New copper(I) complexes selective for prostate cancer cells.
Authors of publication	Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12273 - 12286
a	25.434 ± 0.0018 Å
b	14.4471 ± 0.001 Å
c	25.2689 ± 0.0017 Å
α	90°
β	97.579 ± 0.002°
γ	90°
Cell volume	9203.9 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7705020.cif
257553	2020-10-06	cif/ Updating files of 7705020, 7705021, 7705022, 7705023, 7705024 Original log message: Adding full bibliography for 7705020--7705024.cif.	7705020.cif
254826	2020-08-05	cif/ Adding structures of 7705020, 7705021, 7705022, 7705023, 7705024 via cif-deposit CGI script.	7705020.cif