Crystallography Open Database

Information card for entry 4104005

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Coordinates	4104005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H32 Cl12 N3 P5
Calculated formula	C37 H32 Cl12 N3 P5
Title of publication	Probing the Mechanism of the PCl5-Initiated Living Cationic Polymerization of the Phosphoranimine Cl3P=NSiMe3 using Model Compound Chemistry
Authors of publication	Vivienne Blackstone; Alan J. Lough; Martin Murray; Ian Manners
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3658 - 3667
a	11.3728 ± 0.0004 Å
b	17.6718 ± 0.0007 Å
c	13.0181 ± 0.0003 Å
α	90°
β	107.735 ± 0.002°
γ	90°
Cell volume	2492.01 ± 0.15 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1921
Weighted residual factors for all reflections included in the refinement	0.2165
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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