Crystallography Open Database

Information card for entry 7128955

Preview

Coordinates	7128955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H136 B9 F28 N16 Na Pd4
Calculated formula	C176 H136 B9 F28 N16 Na Pd4
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	30.152 ± 0.0005 Å
b	39.3021 ± 0.001 Å
c	33.998 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	40288.9 ± 1.4 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	7
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.128
Residual factor for significantly intense reflections	0.0985
Weighted residual factors for significantly intense reflections	0.2831
Weighted residual factors for all reflections included in the refinement	0.3227
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7128955.cif
269089	2021-09-11	cif/ Adding structures of 7128954, 7128955 via cif-deposit CGI script.	7128955.cif