Crystallography Open Database

Information card for entry 4313251

Preview

Coordinates	4313251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H116 Cl8 O3 Re4 S10
Calculated formula	C52 H80 Re4 S10
Title of publication	Syntheses of a Cp'ReS Derivative and More Complex Products
Authors of publication	S. H. Pawlicki; B. C. Noll; J. A. Kanney; M. Rakowski DuBois
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1556 - 1563
a	14.9069 ± 0.0007 Å
b	38.048 ± 0.002 Å
c	16.0079 ± 0.0007 Å
α	90°
β	116.079 ± 0.002°
γ	90°
Cell volume	8154.9 ± 0.7 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179188 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/32.	4313251.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313251.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313251.cif
6320	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313251 via cif-deposit CGI script.	4313251.cif