Crystallography Open Database

Information card for entry 7016573

Preview

Coordinates	7016573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H84 F12 N8 O14 Pd2 S4 Si4
Calculated formula	C49 H84 F12 N8 O14 Pd2 S4 Si4
Title of publication	Pseudorotaxane-type n-hydrocarbon container. Metallacyclodimer of ionic palladium(ii) complexes containing 1,3-bis(4-pyridyl)tetramethyldisiloxane.
Authors of publication	Ahn, Jungmin; Min Kim, Sung; Hwan Noh, Tae; Jung, Ok-Sang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	34
Pages of publication	8520 - 8522
a	10.0638 ± 0.0002 Å
b	13.5769 ± 0.0002 Å
c	13.6782 ± 0.0002 Å
α	96.863 ± 0.001°
β	98.995 ± 0.001°
γ	90.964 ± 0.001°
Cell volume	1831.51 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179869 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/65.	7016573.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016573.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016573.cif
27463	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7016573, 7016574, 7016575 via cif-deposit CGI script.	7016573.cif