Crystallography Open Database

Information card for entry 4106642

Preview

Coordinates	4106642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H25 O16 Pd0.5 Re4 Sb2
Calculated formula	C43 H25 O16 Pd0.511 Re4 Sb2
Title of publication	Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior
Authors of publication	Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12994 - 12997
a	35.2421 ± 0.0015 Å
b	52.7954 ± 0.0019 Å
c	10.2274 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	19029.3 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
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.	4106642.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106642.cif
53444	2012-04-19	cif/ Adding structures of 4106642 via cif-deposit CGI script.	4106642.cif