Crystallography Open Database

Information card for entry 7044869

Preview

Coordinates	7044869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Cl O3 Ru
Calculated formula	C24 H27 Cl O3 Ru
SMILES	[Ru]123456(Cl)([O]=C(O1)[C@@H](c1cc7c(cc1)cc(OC)cc7)C)[c]1([cH]6[cH]2[c]3([cH]4[cH]51)C)C(C)C
Title of publication	Ruthenium(ii) arene NSAID complexes: inhibition of cyclooxygenase and antiproliferative activity against cancer cell lines.
Authors of publication	Mandal, Poulami; Kundu, Bidyut Kumar; Vyas, Komal; Sabu, Vidya; Helen, A.; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Bhattacherjee, Debojit; Bhabak, Krishna Pada; Mukhopadhyay, Suman
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	2
Pages of publication	517 - 527
a	9.328 ± 0.005 Å
b	11.49 ± 0.006 Å
c	21.33 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	2286 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1189
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
229576 (current)	2019-11-17	cif/ Updating files of 7044868, 7044869 Original log message: Adding full bibliography for 7044868--7044869.cif.	7044869.cif
203659	2017-11-28	cif/ Adding structures of 7044868, 7044869 via cif-deposit CGI script.	7044869.cif