Crystallography Open Database

Information card for entry 4075584

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Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H45 Mo2 N3 O1.143 S2
Calculated formula	C40 H45 Mo2 N3 O1.143 S2
SMILES	[Mo]123456789C(=[O][Mo]%10%11%12%131(=[C]=9N(c1c(cccc1C)C)/C(=N/c1c(cccc1C)C)[c]14[cH]8[cH]7[cH]6[cH]51)([S]2C)([S]3C)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)N(C)c1c(cccc1C)C.O
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	8.36 ± 0.0001 Å
b	16.956 ± 0.0002 Å
c	26.1569 ± 0.0004 Å
α	90°
β	94.3 ± 0.001°
γ	90°
Cell volume	3697.36 ± 0.08 Å³
Cell temperature	120 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0799
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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