Crystallography Open Database

Information card for entry 7111576

Preview

Coordinates	7111576.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	triscarbonyl-(eta$5!-cyclopentadienyl)-(di-t- butylmethylstannyl)-Molibdenum
Chemical name	triscarbonyl-(η^5^-cyclopentadienyl)-(di-t-butylmethylstannyl)-Molibdenum
Formula	C17 H26 Mo O3 Sn
Calculated formula	C17 H26 Mo O3 Sn
SMILES	[Sn]([Mo]1234([cH]5[cH]2[cH]1[cH]3[cH]45)(C#[O])(C#[O])C#[O])(C(C)(C)C)(C)C(C)(C)C
Title of publication	Methyl transfer from Fe (and Mo) to Sn: formation of (η5-C5H5)M(CO)nSntBu2Me (M = Fe, n = 2; M = Mo, n = 3) complexes from photochemical irradiation of (η5-C5H5)M(CO)nMe and tBu2SnH2
Authors of publication	Sharma, Hemant K.; Arias-Ugarte, Renzo; Metta-Magana, Alejandro; Pannell, Keith H.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4586 - 4588
a	19.0282 ± 0.0017 Å
b	8.5122 ± 0.0008 Å
c	24.573 ± 0.002 Å
α	90°
β	91.117 ± 0.001°
γ	90°
Cell volume	3979.4 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0279
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111576.cif
96672	2014-01-29	cif/ Adding structures of 7111575, 7111576 via cif-deposit CGI script.	7111576.cif