Crystallography Open Database

Information card for entry 4106583

Preview

Coordinates	4106583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C260 H316 N78.89 O120.31 Pd12 Ru4
Calculated formula	C260 H316 N78.887 O120.297 Pd12 Ru4
Title of publication	Noncovalent Trapping and Stabilization of Dinuclear Ruthenium Complexes within a Coordination Cage
Authors of publication	Shinnosuke Horiuchi; Takashi Murase; Makoto Fujita
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12445 - 12447
a	27.58 ± 0.009 Å
b	27.638 ± 0.009 Å
c	32.095 ± 0.011 Å
α	100.987 ± 0.004°
β	92.098 ± 0.004°
γ	107.123 ± 0.004°
Cell volume	22839 ± 13 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2206
Residual factor for significantly intense reflections	0.1153
Weighted residual factors for significantly intense reflections	0.317
Weighted residual factors for all reflections included in the refinement	0.3926
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106583.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106583.cif
53385	2012-04-19	cif/ Adding structures of 4106583 via cif-deposit CGI script.	4106583.cif