Crystallography Open Database

Information card for entry 7128519

Preview

Coordinates	7128519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H49 Fe N2 O2 P Si
Calculated formula	C43 H49 Fe N2 O2 P Si
SMILES	[Fe]1234([Si](=Nc5c(C(C)C)cccc5C(C)C)N(P(c5ccccc5)c5ccccc5)c5c(C(C)C)cccc5C(C)C)(C#[O])([cH]5[cH]2[cH]1[cH]4[cH]35)C#[O]
Title of publication	Formation of silaimines from a sterically demanding iminophosphonamido chlorosilylene <i>via</i> intramolecular N-P bond cleavage.
Authors of publication	Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	55
Pages of publication	6728 - 6731
a	10.6138 ± 0.0009 Å
b	18.8185 ± 0.0016 Å
c	19.6086 ± 0.0017 Å
α	90°
β	92.119 ± 0.001°
γ	90°
Cell volume	3913.9 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0479
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
268509 (current)	2021-09-06	cif/ Updating files of 7128518, 7128519, 7128520, 7128521 Original log message: Adding full bibliography for 7128518--7128521.cif.	7128519.cif
266573	2021-06-19	cif/ Adding structures of 7128518, 7128519, 7128520, 7128521 via cif-deposit CGI script.	7128519.cif