Crystallography Open Database

Information card for entry 7046305

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Structure parameters

Formula	C9 H17 Cl N2
Calculated formula	C9 H17 Cl N2
Title of publication	Reactivity studies of an imine-functionalised phosphaalkene; unusual electrostatic and supramolecular stabilisation of a σ<sup>2</sup>λ<sup>3</sup>-phosphorus motif via hydrogen bonding.
Authors of publication	Morales Salazar, Daniel; Gupta, Arvind Kumar; Orthaber, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	31
Pages of publication	10404 - 10409
a	11.598 ± 0.0017 Å
b	9.2935 ± 0.0014 Å
c	9.4641 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1020.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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