Crystallography Open Database

Information card for entry 7227276

Preview

Coordinates	7227276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H44 N3 Sc Si2
Calculated formula	C25 H44 N3 Sc Si2
SMILES	[Sc]123456(N([Si](C)(C)C)[Si](C)(C)C)N([C@H]7[C@H]([N]1(C)C)CCCC7)CC[c]15[c]52[c]3([cH]4[cH]61)cccc5
Title of publication	Half-Sandwich Chiral Rare-Earth Metal Complexes with Linked Tridentate Amido-Indenyl Ligand: Synthesis, Characterization, and Catalytic Properties for Intramolecular Hydroamination
Authors of publication	Chai, Zhuo; Chu, Jiang; Qi, Yunyi; Tang, Mujun; Hou, Jinsong; Yang, Gaosheng
Journal of publication	RSC Adv.
Year of publication	2016
a	8.9897 ± 0.0009 Å
b	10.1575 ± 0.001 Å
c	15.3828 ± 0.0015 Å
α	90°
β	97.86 ± 0.001°
γ	90°
Cell volume	1391.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0522
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
189176 (current)	2016-12-17	cif/ Adding structures of 7227273, 7227274, 7227275, 7227276 via cif-deposit CGI script.	7227276.cif