Crystallography Open Database

Information card for entry 7717310

Preview

Coordinates	7717310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H20 Cl2 Fe N3.5 O0.12
Calculated formula	C13 H21 Cl2 Fe N3 O0.5
Title of publication	Achieving Isopropenyl-Enriched Polyisoprene: Unraveling the Role of Bidentate vs. Tridentate Iron Precatalysts through Ligand Framework Design
Authors of publication	Sohail, Sunny; Ma, Yanping; Mahmood, Qaiser; Hu, Zexu; Wang, Yizhou; Liang, Tongling; Sun, Wen Hua
Journal of publication	Dalton Transactions
Year of publication	2024
a	14.8062 ± 0.0004 Å
b	10.1238 ± 0.0003 Å
c	21.345 ± 0.0007 Å
α	90°
β	90.579 ± 0.003°
γ	90°
Cell volume	3199.35 ± 0.17 Å³
Cell temperature	170 ± 0.4 K
Ambient diffraction temperature	170 ± 0.4 K
Number of distinct elements	6
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	0.0536
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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