Crystallography Open Database

Information card for entry 7711808

Preview

Coordinates	7711808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H42 Mo O4 Si
Calculated formula	C33 H42 Mo O4 Si
SMILES	[Mo]123456(O[Si](O[C]2(=[CH2]1)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C#[O])(C#[O])[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
Title of publication	Synthesis and structure of a pyridine-stabilized silanone molybdenum complex and its reactions with PMe3 and acetone
Authors of publication	Muraoka, Takako; Suzuki, Yuzuki; Tsuchimoto, Masato; Trigagema, Gama; Ueno, Keiji; Koyama, Shinji
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.343 ± 0.003 Å
b	14.711 ± 0.004 Å
c	16.766 ± 0.004 Å
α	90°
β	96.3 ± 0.005°
γ	90°
Cell volume	3025.9 ± 1.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1415
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
279408 (current)	2022-11-19	cif/ Adding structures of 7711806, 7711807, 7711808, 7711809 via cif-deposit CGI script.	7711808.cif