Crystallography Open Database

Information card for entry 4349691

Preview

Coordinates	4349691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Cl N O W
Calculated formula	C10 H16 Cl N O W
SMILES	C[W](C)(C)(=Nc1ccc(cc1)OC)Cl
Title of publication	Selective ethylene oligomerisation using supported tungsten mono-imido catalysts
Authors of publication	Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	6
Pages of publication	1048
a	6.0476 ± 0.0003 Å
b	7.3129 ± 0.0003 Å
c	14.2223 ± 0.0006 Å
α	90°
β	97.885 ± 0.004°
γ	90°
Cell volume	623.04 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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