Crystallography Open Database

Information card for entry 4085597

Preview

Coordinates	4085597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 Mo N O2 Si
Calculated formula	C27 H33 Mo N O2 Si
SMILES	[Mo]12345([NH]([Si]1(c1ccccc1)c1ccccc1)C(C)C)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	η3-Silaallyl/Alkenylsilyl Molybdenum Complex: Synthesis, Structure, and Reactivity toward Primary Amines To Form Mo‒N‒Si Three-Membered Cyclic Complexes
Authors of publication	Sakaba, Hiroyuki; Tonosaki, Hiroki; Isozaki, Kazuyoshi; Kwon, Eunsang
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	6
Pages of publication	1029
a	9.17 ± 0.003 Å
b	14.916 ± 0.005 Å
c	19 ± 0.007 Å
α	90°
β	92.58 ± 0.004°
γ	90°
Cell volume	2596.2 ± 1.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085597.cif
134855	2015-04-04	cif/ Updating files of 4085595, 4085596, 4085597 Original log message: Adding full bibliography for 4085595--4085597.cif.	4085597.cif
133738	2015-03-10	cif/ Adding structures of 4085595, 4085596, 4085597 via cif-deposit CGI script.	4085597.cif