Crystallography Open Database

Information card for entry 7013774

Preview

Structure parameters

Formula	C41 H69 Cl3 Mo2
Calculated formula	C41 H69 Cl3 Mo2
Title of publication	Mono- and dinuclear molybdenum complexes with sterically demanding cycloheptatrienyl ligands.
Authors of publication	Tamm, Matthias; Bannenberg, Thomas; Fröhlich, Roland; Grimme, Stefan; Gerenkamp, Mareike
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	3
Pages of publication	482 - 491
a	11.954 ± 0.001 Å
b	12.776 ± 0.001 Å
c	15.913 ± 0.001 Å
α	113.58 ± 0.01°
β	90.72 ± 0.01°
γ	107.98 ± 0.01°
Cell volume	2092.6 ± 0.4 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7013774.html