Crystallography Open Database

Information card for entry 7036025

Preview

Coordinates	7036025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H45 Fe N3 O4 Si
Calculated formula	C37 H45 Fe N3 O4 Si
SMILES	[Fe]([Si]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)N(C)C)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.
Authors of publication	Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	33
Pages of publication	14959 - 14974
a	10.2963 ± 0.0019 Å
b	10.5302 ± 0.0019 Å
c	16.804 ± 0.003 Å
α	93.254 ± 0.017°
β	93.943 ± 0.017°
γ	104.57 ± 0.02°
Cell volume	1754 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
161778 (current)	2015-10-09	cif/ Updating files of 7036018, 7036019, 7036020, 7036021, 7036022, 7036023, 7036024, 7036025, 7036026, 7036027, 7036028 Original log message: Adding full bibliography for 7036018--7036028.cif.	7036025.cif
152675	2015-08-01	cif/ Adding structures of 7036018, 7036019, 7036020, 7036021, 7036022, 7036023, 7036024, 7036025, 7036026, 7036027, 7036028 via cif-deposit CGI script.	7036025.cif