Crystallography Open Database

Information card for entry 7711806

Preview

Coordinates	7711806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H51 Mo N O3 Si2
Calculated formula	C38 H51 Mo N O3 Si2
SMILES	C(#[O])[Mo]1234(C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)[n]1ccccc1)[Si](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	32.545 ± 0.005 Å
b	13.0056 ± 0.0018 Å
c	17.608 ± 0.003 Å
α	90°
β	97.278 ± 0.003°
γ	90°
Cell volume	7393 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0453
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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.	7711806.cif