Crystallography Open Database

Information card for entry 4075583

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Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H43 Mo2 N3 O S2
Calculated formula	C35 H43 Mo2 N3 O S2
SMILES	C[S]1[Mo]2345678(C(NC(C)(C)C)=[O][Mo]9%10%11%12%1318(=[C]=6N(c1c(cccc1C)C)C(=N\c1c(cccc1C)C)\[c]19[cH]%10[cH]%11[cH]%12[cH]%131)[S]7C)[cH]1[cH]2[cH]3[cH]4[cH]51
Title of publication	Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes
Authors of publication	Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	16
Pages of publication	4009
a	16.2946 ± 0.0008 Å
b	13.4907 ± 0.0006 Å
c	16.0487 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3527.9 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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