Crystallography Open Database

Information card for entry 7715932

Preview

Coordinates	7715932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H57 Li3 N6 Si3
Calculated formula	C51 H57 Li3 N6 Si3
SMILES	[Si]([N]1([Li][N]([Si](C)(C)C)([Li][N]([Si](C)(C)C)([Li]1)N1c2ccccc2C=Cc2ccccc12)N1c2ccccc2C=Cc2ccccc12)N1c2ccccc2C=Cc2ccccc12)(C)(C)C
Title of publication	Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.
Authors of publication	Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	20
Pages of publication	8642 - 8656
a	11.5186 ± 0.0009 Å
b	19.8427 ± 0.0016 Å
c	21.2591 ± 0.0017 Å
α	90°
β	100.794 ± 0.002°
γ	90°
Cell volume	4773 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
293095 (current)	2024-07-05	cif/ Updating files of 7715932, 7715933, 7715934, 7715935, 7715936, 7715937, 7715938, 7715939, 7715940 Original log message: Adding full bibliography for 7715932--7715940.cif.	7715932.cif
291467	2024-05-03	cif/ Adding structures of 7715932, 7715933, 7715934, 7715935, 7715936, 7715937, 7715938, 7715939, 7715940 via cif-deposit CGI script.	7715932.cif