Crystallography Open Database

Information card for entry 1574093

Preview

Coordinates	1574093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C282 H204 N24 Pd6
Calculated formula	C282 H204 N24 Pd6
Title of publication	Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.
Authors of publication	Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	14
Pages of publication	6114 - 6120
a	26.235 ± 0.0017 Å
b	26.235 ± 0.0017 Å
c	46.357 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	27632 ± 3 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.1399
Residual factor for significantly intense reflections	0.1258
Weighted residual factors for significantly intense reflections	0.3361
Weighted residual factors for all reflections included in the refinement	0.3594
Goodness-of-fit parameter for all reflections included in the refinement	1.397
Diffraction radiation wavelength	0.6887 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298788 (current)	2025-04-05	cif/ Updating files of 1574092, 1574093, 1574094 Original log message: Adding full bibliography for 1574092--1574094.cif.	1574093.cif
298338	2025-03-08	cif/ Adding structures of 1574092, 1574093, 1574094 via cif-deposit CGI script.	1574093.cif