Crystallography Open Database

Information card for entry 7122147

Preview

Coordinates	7122147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C600 H696 B48 Fe24 N168 O144 Pd6
Calculated formula	C600 H696 B48 Fe24 N168 O144 Pd6
Title of publication	Inflating face-capped Pd<sub>6</sub>L<sub>8</sub> coordination cages.
Authors of publication	Jansze, Suzanne M.; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Menin, Laure; Severin, Kay
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	68
Pages of publication	9529 - 9532
a	52.2358 ± 0.0008 Å
b	52.2358 ± 0.0008 Å
c	52.2358 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	142529 ± 4 Å³
Cell temperature	140.01 ± 0.1 K
Ambient diffraction temperature	140.01 ± 0.1 K
Number of distinct elements	7
Space group number	209
Hermann-Mauguin space group symbol	F 4 3 2
Hall space group symbol	F 4 2 3
Residual factor for all reflections	0.2419
Residual factor for significantly intense reflections	0.1435
Weighted residual factors for significantly intense reflections	0.3646
Weighted residual factors for all reflections included in the refinement	0.4521
Goodness-of-fit parameter for all reflections included in the refinement	1.337
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
228511 (current)	2019-11-17	cif/ Updating files of 7122145, 7122146, 7122147 Original log message: Adding full bibliography for 7122145--7122147.cif.	7122147.cif
209546	2018-08-11	cif/ Adding structures of 7122145, 7122146, 7122147 via cif-deposit CGI script.	7122147.cif