Crystallography Open Database

Information card for entry 7243297

Preview

Coordinates	7243297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H80 Co Eu2 N17 O32
Calculated formula	C75 H80 Co Eu2 N17 O32
SMILES	[Eu]1([O]=N(=O)O1)(OC(=O)c1ccc([n+]2ccc(c4ccncc4)cc2)cc1)([OH2])([OH2])([OH2])(OC(=O)c1ccc([n+]2ccc(cc2)c2ccncc2)cc1)[OH2].[Eu]1([O]=N(O1)=O)([OH2])([OH2])(OC(=O)c1ccc([n+]2ccc(cc2)c2ccncc2)cc1)([OH2])([OH2])OC(=O)c1ccc([n+]2ccc(c3ccncc3)cc2)cc1.[Co](C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O=N(=O)[O-].O.OC.O.O.O.O
Title of publication	Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids
Authors of publication	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	35
Pages of publication	5994 - 6011
a	10.2652 ± 0.0002 Å
b	20.5445 ± 0.0004 Å
c	39.9674 ± 0.0008 Å
α	90°
β	96.8 ± 0.001°
γ	90°
Cell volume	8369.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.078
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269693 (current)	2021-10-06	cif/ Updating files of 7243295, 7243296, 7243297 Original log message: Adding full bibliography for 7243295--7243297.cif.	7243297.cif
267821	2021-07-30	cif/ Adding structures of 7243295, 7243296, 7243297 via cif-deposit CGI script.	7243297.cif