Crystallography Open Database

Information card for entry 4121526

Preview

Coordinates	4121526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142 H88 Ir N40 O22 Pd1.5 Ru2
Calculated formula	C142 H88 Ir N40 O22 Pd1.5 Ru2
Title of publication	Stepwise Assembly of Pd6(RuL3)8 Nanoscale Rhombododecahedral Metal-Organic Cages via Metalloligand Strategy for Guest Trapping and Protection.
Authors of publication	Li, Kang; Zhang, Lu-Yin; Yan, Cheng; Wei, Shi-Chao; Pan, Mei; Zhang, Li; Su, Cheng-Yong
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	12
Pages of publication	4456 - 4459
a	39.1799 ± 0.0004 Å
b	39.1799 ± 0.0004 Å
c	34.8255 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	53459.4 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1566
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4121526.cif
108219	2014-03-29	cif/ Adding structures of 4121526 via cif-deposit CGI script.	4121526.cif