Crystallography Open Database

Information card for entry 7235630

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Coordinates	7235630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H46 Mo O4 Si
Calculated formula	C39 H46 Mo O4 Si
Title of publication	Insertion of carbon monoxide into an aldehyde CO double bond induced by an (η3-α-silabenzyl)carbonylmolybdenum complex
Authors of publication	Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	37
Pages of publication	19068
a	12.8069 ± 0.0003 Å
b	13.1036 ± 0.0004 Å
c	21.5568 ± 0.0007 Å
α	90°
β	90.7174 ± 0.0004°
γ	90°
Cell volume	3617.3 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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