Crystallography Open Database

Information card for entry 7710738

Preview

Coordinates	7710738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H61 O2 P2 Sc Si2
Calculated formula	C30 H61 O2 P2 Sc Si2
SMILES	[Sc]12([P](Oc3c2c(O[P]1(C(C)(C)C)C(C)(C)C)ccc3)(C(C)(C)C)C(C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity
Authors of publication	Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei
Journal of publication	Dalton Transactions
Year of publication	2022
a	16.3488 ± 0.0009 Å
b	13.2688 ± 0.0008 Å
c	16.9093 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3668.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
276836 (current)	2022-07-23	cif/ Adding structures of 7710733, 7710734, 7710735, 7710736, 7710737, 7710738, 7710739, 7710740 via cif-deposit CGI script.	7710738.cif