Crystallography Open Database

Information card for entry 7710739

Preview

Coordinates	7710739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H39 Cl2 O2 P2 V
Calculated formula	C22 H39 Cl2 O2 P2 V
SMILES	[V]12(Cl)(Cl)[P](Oc3c2c(O[P]1(C(C)(C)C)C(C)(C)C)ccc3)(C(C)(C)C)C(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	10.6403 ± 0.0004 Å
b	16.2799 ± 0.0008 Å
c	15.1343 ± 0.0008 Å
α	90°
β	90.332 ± 0.004°
γ	90°
Cell volume	2621.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0682
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7710739.cif