Crystallography Open Database

Information card for entry 7701996

7701995 << 7701996 >> 7701997

Preview

Coordinates	7701996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H45 F12 Na Ni O11 P2 Sb2
Calculated formula	C35 H45 F12 Na Ni O11 P2 Sb2
SMILES	c12ccccc1[P]1(=[O][Ni]34([P]2(c2c(cccc2OC)OC)c2c(cccc2OC)OC)C[CH]3=[CH2]4)OCC[O]2[Na]34([F][Sb]([F]3)(F)(F)(F)F)([O](CC2)C)[O](CCO1)CC[O]4C.[F-][Sb](F)(F)(F)(F)F
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	40.567 ± 0.003 Å
b	9.3711 ± 0.0007 Å
c	29.875 ± 0.002 Å
α	90°
β	121.95 ± 0.001°
γ	90°
Cell volume	9636.7 ± 1.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1547
Weighted residual factors for all reflections included in the refinement	0.1723
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	7701996.cif