Crystallography Open Database

Information card for entry 7128954

Preview

Coordinates	7128954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C360 H278 B8 N24 Pd6 S12
Calculated formula	C360 H278 B8 N24 Pd6 S12
Title of publication	Orientational self-sorting: formation of structurally defined Pd<sub>4</sub>L<sub>8</sub> and Pd<sub>6</sub>L<sub>12</sub> cages from low-symmetry dipyridyl ligands.
Authors of publication	Li, Ru-Jin; Marcus, Adam; Fadaei-Tirani, Farzaneh; Severin, Kay
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	78
Pages of publication	10023 - 10026
a	22.4855 ± 0.001 Å
b	22.5246 ± 0.0009 Å
c	25.9711 ± 0.0013 Å
α	65.278 ± 0.005°
β	69.004 ± 0.004°
γ	67.104 ± 0.004°
Cell volume	10701.9 ± 1 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2797
Residual factor for significantly intense reflections	0.2192
Weighted residual factors for significantly intense reflections	0.5045
Weighted residual factors for all reflections included in the refinement	0.5476
Goodness-of-fit parameter for all reflections included in the refinement	1.899
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269600 (current)	2021-10-06	cif/ Updating files of 7128954, 7128955 Original log message: Adding full bibliography for 7128954--7128955.cif.	7128954.cif
269089	2021-09-11	cif/ Adding structures of 7128954, 7128955 via cif-deposit CGI script.	7128954.cif