Crystallography Open Database

Information card for entry 4073560

Preview

Coordinates	4073560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Mo
Calculated formula	C16 H22 Mo
SMILES	[MoH2]123456789[cH]%10[cH]1[cH]2[cH]3[c]4%10C(C([c]15[cH]6[cH]7[cH]8[cH]91)(C)C)(C)C
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	32.751 ± 0.01 Å
b	7.589 ± 0.002 Å
c	10.966 ± 0.003 Å
α	90°
β	106.612 ± 0.005°
γ	90°
Cell volume	2611.8 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4073560.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073560.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073560.cif
46419	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073560 via cif-deposit CGI script.	4073560.cif