Crystallography Open Database

Information card for entry 7714152

Preview

Coordinates	7714152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H24 N2 O8 Pt
Calculated formula	C10 H24 N2 O8 Pt
SMILES	[Pt]12(OC(=O)[C@@H](O)[C@H]2C(=O)O)[NH2][C@H]2[C@H]([NH2]1)CCCC2.O.O.O
Title of publication	Not the usual suspect – an unexpected organometallic product during the synthesis of a cytotoxic platinum(II) complex
Authors of publication	Maier, Thomas; Wutschitz, Judith; Gajic, Natalie; Hejl, Michaela; Cseh, Klaudia; Mai, Sebastian; Jakupec, Michael; Galanski, Mathea Sophia; Keppler, Bernhard K.
Journal of publication	Dalton Transactions
Year of publication	2023
a	8.2831 ± 0.0017 Å
b	9.6777 ± 0.0019 Å
c	10.192 ± 0.002 Å
α	73.15 ± 0.03°
β	76.8 ± 0.03°
γ	80.7 ± 0.03°
Cell volume	757.3 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0185
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0459
Weighted residual factors for all reflections included in the refinement	0.0462
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286837 (current)	2023-10-07	cif/ Adding structures of 7714152 via cif-deposit CGI script.	7714152.cif