Crystallography Open Database

Information card for entry 4073559

Preview

Coordinates	4073559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 Mo O5 S
Calculated formula	C23 H30 Mo O5 S
Title of publication	Organometallic Catalysis in Aqueous Solution. The Hydrolytic Activity of a Water-Solubleansa-Molybdocene Catalyst
Authors of publication	Ahmed, Takiya J.; Zakharov, Lev N.; Tyler, David R.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	21
Pages of publication	5179
a	17.207 ± 0.002 Å
b	7.7689 ± 0.0011 Å
c	17.786 ± 0.003 Å
α	90°
β	110.32 ± 0.003°
γ	90°
Cell volume	2229.7 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178624 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/35.	4073559.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073559.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073559.cif
46418	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073559 via cif-deposit CGI script.	4073559.cif