Crystallography Open Database

Information card for entry 7705617

Preview

Coordinates	7705617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H144 F12 N8 O8 Pd2 S8 Si10
Calculated formula	C80 H144 F12 N8 O8 Pd2 S8 Si10
Title of publication	Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.
Authors of publication	Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	42
Pages of publication	15002 - 15008
a	17.554 ± 0.003 Å
b	17.554 ± 0.003 Å
c	18.597 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5730.5 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258803 (current)	2020-11-06	cif/ Updating files of 7705614, 7705615, 7705616, 7705617, 7705618 Original log message: Adding full bibliography for 7705614--7705618.cif.	7705617.cif
258251	2020-10-08	cif/ Adding structures of 7705614, 7705615, 7705616, 7705617, 7705618 via cif-deposit CGI script.	7705617.cif