Crystallography Open Database

Information card for entry 7704033

Preview

Coordinates	7704033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H64 B2 F8 N8 O8 Pd
Calculated formula	C62 H64 B2 F8 N8 O8 Pd
Title of publication	Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.
Authors of publication	Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	19
Pages of publication	6183 - 6190
a	17.54 ± 0.005 Å
b	14.333 ± 0.003 Å
c	12.987 ± 0.003 Å
α	90°
β	108.92 ± 0.03°
γ	90°
Cell volume	3088.5 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1897
Weighted residual factors for all reflections included in the refinement	0.1965
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.68 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252780 (current)	2020-06-05	cif/ Updating files of 7704033, 7704034, 7704035, 7704036, 7704037, 7704038, 7704039, 7704040, 7704041 Original log message: Adding full bibliography for 7704033--7704041.cif.	7704033.cif
250579	2020-04-10	cif/ Adding structures of 7704033, 7704034, 7704035, 7704036, 7704037, 7704038, 7704039, 7704040, 7704041 via cif-deposit CGI script.	7704033.cif