Crystallography Open Database

Information card for entry 4080826

Preview

Coordinates	4080826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H58 Mo N2 O3.5 Si
Calculated formula	C46 H46 Mo N2 O3.5 Si
Title of publication	Synthesis, Structure, and Reactions of a (η3-α-silabenzyl)molybdenum Complex: A Synthetic Equivalent of a Coordinatively Unsaturated Silyl Complex
Authors of publication	Komuro, Takashi; Kanno, Yuto; Tobita, Hiromi
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2795
a	20.6607 ± 0.001 Å
b	20.3913 ± 0.0007 Å
c	20.767 ± 0.0009 Å
α	90°
β	101.645 ± 0.0015°
γ	90°
Cell volume	8569 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1724
Goodness-of-fit parameter for all reflections included in the refinement	1.167
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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