Crystallography Open Database

Information card for entry 1571802

Preview

Coordinates	1571802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H52.5 N13 O10.5 Pd S2
Calculated formula	C56 H52.5 N13 O10.3333 Pd S2
Title of publication	Comparing organic and metallo-organic hydrazone molecular cages as potential carriers for doxorubicin delivery
Authors of publication	Montà-González, Giovanni; Bastante-Rodríguez, David; García-Fernández, Alba; Lusby, Paul J.; Martínez-Máñez, Ramón; Martí-Centelles, Vicente
Journal of publication	Chemical Science
Year of publication	2024
Journal volume	15
Journal issue	26
Pages of publication	10010 - 10017
a	19.662 ± 0.0013 Å
b	23.7645 ± 0.0017 Å
c	19.8456 ± 0.0014 Å
α	90°
β	113.508 ± 0.002°
γ	90°
Cell volume	8503.4 ± 1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292881 (current)	2024-07-05	cif/ Updating files of 1571802 Original log message: Adding full bibliography for 1571802.cif.	1571802.cif
292262	2024-06-08	cif/ Adding structures of 1571802 via cif-deposit CGI script.	1571802.cif