Crystallography Open Database

Information card for entry 4121918

4121917 << 4121918 >> 4121919

Preview

Coordinates	4121918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H43 Mo P3 Si
Calculated formula	C21 H43 Mo P3 Si
SMILES	[MoH4]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[SiH]([H]1)(c1ccccc1)c1ccccc1
Title of publication	Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.
Authors of publication	Zuzek, Ashley A.; Parkin, Gerard
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	23
Pages of publication	8177 - 8180
a	9.5132 ± 0.0011 Å
b	9.3963 ± 0.0011 Å
c	29.385 ± 0.003 Å
α	90°
β	91.339 ± 0.002°
γ	90°
Cell volume	2626 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
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	0.0702
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.256
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179021 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/19.	4121918.cif
119158	2014-07-05	cif/ Updating files of 4121917, 4121918, 4121919, 4121920, 4121921, 4121922, 4121923, 4121924 Original log message: Adding full bibliography for 4121917--4121924.cif.	4121918.cif
114975	2014-05-31	cif/ Adding structures of 4121918 via cif-deposit CGI script.	4121918.cif