Crystallography Open Database

Information card for entry 4073558

Preview

Coordinates	4073558.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	7.7452 ± 0.0004 Å
b	10.5132 ± 0.0005 Å
c	14.7256 ± 0.0007 Å
α	76.259 ± 0.001°
β	75.325 ± 0.001°
γ	84.312 ± 0.001°
Cell volume	1125.78 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0211
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0531
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	4073558.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073558.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073558.cif
46417	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073558 via cif-deposit CGI script.	4073558.cif