Crystallography Open Database

Information card for entry 4335105

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Structure parameters

Formula	C60 H65 Mo P5
Calculated formula	C60 H65 Mo P5
SMILES	[Mo]123([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)(C(C)C)C(C)C)[P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Bonding and Activation of N2 in Mo(0) Complexes Supported by Hybrid Tripod Ligands with Mixed Dialkylphosphine/Diarylphosphine Donor Groups: Interplay of Steric and Electronic Factors
Authors of publication	Ludger Söncksen; Christian Gradert; Jan Krahmer; Christian Näther; Felix Tuczek
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6576 - 6589
a	12.3476 ± 0.0007 Å
b	25.323 ± 0.0019 Å
c	18.3494 ± 0.0012 Å
α	90°
β	95.107 ± 0.007°
γ	90°
Cell volume	5714.7 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
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	0.0916
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.1801
Weighted residual factors for all reflections included in the refinement	0.1838
Goodness-of-fit parameter for all reflections included in the refinement	1.252
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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