Crystallography Open Database

Information card for entry 4075582

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H43 Mo2 N3 O S2
Calculated formula	C35 H43 Mo2 N3 O S2
SMILES	c1(c(cccc1C)C)N1[C]2=[Mo]3456789([cH]%10[cH]6[cH]5[cH]4[cH]3%10)[O]=C([Mo]3456=27([c]2(C\1=N/c1c(cccc1C)C)[cH]3[cH]4[cH]5[cH]62)([S]8C)[S]9C)NC(C)(C)C
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	9.9768 ± 0.0009 Å
b	13.286 ± 0.0016 Å
c	13.9137 ± 0.0018 Å
α	77.796 ± 0.011°
β	86.048 ± 0.009°
γ	68.941 ± 0.01°
Cell volume	1682.2 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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