Crystallography Open Database

Information card for entry 1574092

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Coordinates	1574092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H96 N12 Pd3
Calculated formula	C138 H96 N12 Pd3
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	24.626 ± 0.002 Å
b	24.7677 ± 0.0019 Å
c	25.97 ± 0.002 Å
α	69.586 ± 0.002°
β	75.581 ± 0.002°
γ	63.458 ± 0.002°
Cell volume	13198.3 ± 1.8 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1559
Residual factor for significantly intense reflections	0.1268
Weighted residual factors for significantly intense reflections	0.374
Weighted residual factors for all reflections included in the refinement	0.4083
Goodness-of-fit parameter for all reflections included in the refinement	1.453
Diffraction radiation wavelength	0.67016 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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