Crystallography Open Database

Information card for entry 4085596

Preview

Coordinates	4085596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 Mo N O2 Si
Calculated formula	C30 H39 Mo N O2 Si
SMILES	[Mo]12345([NH]([Si](C1C(C)C)(c1ccccc1)c1ccccc1)CC)(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	8.915 ± 0.003 Å
b	19.109 ± 0.005 Å
c	17.452 ± 0.005 Å
α	90°
β	102.648 ± 0.003°
γ	90°
Cell volume	2900.9 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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.	4085596.cif
134855	2015-04-04	cif/ Updating files of 4085595, 4085596, 4085597 Original log message: Adding full bibliography for 4085595--4085597.cif.	4085596.cif
133738	2015-03-10	cif/ Adding structures of 4085595, 4085596, 4085597 via cif-deposit CGI script.	4085596.cif