Crystallography Open Database

Information card for entry 7701998

7701997 << 7701998 >> 7701999

Preview

Coordinates	7701998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.47 H54.87 F12 Na Ni O9.53 P2 Sb2
Calculated formula	C37.47 H54.88 F12 Na Ni O9.53 P2 Sb2
SMILES	c12ccccc1[P](c1ccccc1OC)([Ni]13([CH2]=[CH]1C3)[O]=[P]12OCC[O]2CC[O](C)[Na]342([F][Sb](F)(F)(F)(F)F)([F][Sb](F)(F)(F)(F)F)[O](CC[O]14)CC[O]3C)c1c(cccc1)OC.CCCCO
Title of publication	Accelerating Ethylene Polymerization Using Secondary Metal Ions in Tetrahydrofuran
Authors of publication	Xiao, Dawei; Cai, Zhongzheng; Do, Loi
Journal of publication	Dalton Transactions
Year of publication	2019
a	10.2493 ± 0.0017 Å
b	15.708 ± 0.003 Å
c	17.072 ± 0.003 Å
α	97.691 ± 0.002°
β	105.207 ± 0.002°
γ	108.91 ± 0.002°
Cell volume	2436 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.2113
Weighted residual factors for all reflections included in the refinement	0.2261
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
231189 (current)	2019-11-22	cif/ Adding structures of 7701996, 7701997, 7701998 via cif-deposit CGI script.	7701998.cif