Crystallography Open Database

Information card for entry 7044868

Preview

Coordinates	7044868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cl3 N O2 Ru
Calculated formula	C24 H24 Cl3 N O2 Ru
SMILES	[Ru]123456(Cl)(OC(=[O]1)Cc1c(Nc7c(cccc7Cl)Cl)cccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)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	16.8227 ± 0.0012 Å
b	11.3329 ± 0.0008 Å
c	25.1614 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4797 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	7044868.cif
203659	2017-11-28	cif/ Adding structures of 7044868, 7044869 via cif-deposit CGI script.	7044868.cif