Crystallography Open Database

Information card for entry 1571000

Preview

Coordinates	1571000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 Fe N9 O4 Pt
Calculated formula	C23 H23 Fe N9 O4 Pt
SMILES	[Pt](O)(OC(=O)CNC(=O)[c]12[cH]3[Fe]4567891([cH]1[cH]5[cH]4[cH]8[cH]71)[cH]([cH]39)[cH]26)([n]1ccccc1)(N=N#N)([n]1ccccc1)N=N#N
Title of publication	Tuning the photoactivated anticancer activity of Pt(iv) compounds <i>via</i> distant ferrocene conjugation.
Authors of publication	Shi, Huayun; Ponte, Fortuna; Grewal, Jaspreet S.; Clarkson, Guy J.; Imberti, Cinzia; Hands-Portman, Ian; Dallmann, Robert; Sicilia, Emilia; Sadler, Peter J.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	11
Pages of publication	4121 - 4134
a	15.1269 ± 0.0003 Å
b	10.50172 ± 0.00017 Å
c	16.1559 ± 0.0003 Å
α	90°
β	101.425 ± 0.0019°
γ	90°
Cell volume	2515.65 ± 0.08 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	0.032
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0487
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
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
290857 (current)	2024-04-05	cif/ Updating files of 1571000 Original log message: Adding full bibliography for 1571000.cif.	1571000.cif
289821	2024-02-15	cif/ Adding structures of 1571000 via cif-deposit CGI script.	1571000.cif