Crystallography Open Database

Information card for entry 1574094

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Coordinates	1574094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H128 N16 Pd4
Calculated formula	C176 H128 N16 Pd4
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	43.65 ± 0.002 Å
b	43.65 ± 0.002 Å
c	43.65 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	83167 ± 7 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1934
Residual factor for significantly intense reflections	0.1841
Weighted residual factors for significantly intense reflections	0.516
Weighted residual factors for all reflections included in the refinement	0.575
Goodness-of-fit parameter for all reflections included in the refinement	1.582
Diffraction radiation wavelength	0.68874 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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