Crystallography Open Database

Information card for entry 7708290

Preview

Coordinates	7708290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 F6 N5 O5 P Ru
Calculated formula	C38 H36 F6 N5 O5 P Ru
SMILES	[Ru]123([O]=C(C=C(c4cc5ccc(cc5oc4=O)N(CC)CC)O1)OCC)([n]1c(c4[n]2cccc4)cccc1)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Cytotoxic evaluation and DNA interaction of RuII-bipy complexes containing coumarin-based ligands
Authors of publication	Saraiva Vilas Boas de Almeida, Patrícia Saraiva Vilas Boas; de Arruda, Henrique Jefferson; Sousa, Gleyton Silva; Vitório, Felipe; França, José; Ferreira, Larissa; Guedes, Guilherme P.; Silva, Heveline; Kümmerle, Arthur Eugen; Neves, Amanda Porto
Journal of publication	Dalton Transactions
Year of publication	2021
a	28.336 ± 0.0012 Å
b	10.567 ± 0.0003 Å
c	26.877 ± 0.0009 Å
α	90°
β	110.549 ± 0.001°
γ	90°
Cell volume	7535.6 ± 0.5 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	7
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	0.052
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269138 (current)	2021-09-15	cif/ Adding structures of 7708290 via cif-deposit CGI script.	7708290.cif