Crystallography Open Database

Information card for entry 7704240

Preview

Coordinates	7704240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H83 N5 O2 Si2
Calculated formula	C53 H83 N5 O2 Si2
SMILES	[Si@@]([O-])(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1n(c(c([n+]1C)C)C)C.c1(ccccc1)C
Title of publication	Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.
Authors of publication	Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	21
Pages of publication	7060 - 7068
a	12.3466 ± 0.0007 Å
b	16.0952 ± 0.0009 Å
c	26.4133 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	5248.9 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
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
252833 (current)	2020-06-05	cif/ Updating files of 7704240, 7704241, 7704242, 7704243, 7704244, 7704245, 7704246 Original log message: Adding full bibliography for 7704240--7704246.cif.	7704240.cif
251339	2020-05-01	cif/ Adding structures of 7704240, 7704241, 7704242, 7704243, 7704244, 7704245, 7704246 via cif-deposit CGI script.	7704240.cif