Crystallography Open Database

Information card for entry 4087800

Preview

Coordinates	4087800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H63 N3 P Si4 Y
Calculated formula	C36 H63 N3 P Si4 Y
SMILES	[Y](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(N1CCCCC1)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Yttrium-Catalyzed Amine‒Silane Dehydrocoupling: Extended Reaction Scope with a Phosphorus-Based Ligand
Authors of publication	Nako, Adi E.; Chen, Wenyi; White, Andrew J. P.; Crimmin, Mark R.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	17
Pages of publication	4369
a	15.22581 ± 0.00015 Å
b	12.86886 ± 0.00012 Å
c	22.2415 ± 0.0002 Å
α	90°
β	101.426 ± 0.001°
γ	90°
Cell volume	4271.6 ± 0.07 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
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	0.0309
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237010 (current)	2019-11-24	cif/ Adding structures of 4087799, 4087800, 4087801 via cif-deposit CGI script.	4087800.cif