Crystallography Open Database

Information card for entry 7249605

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Coordinates	7249605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H13 Cl2 N
Calculated formula	C7 H13 Cl2 N
Title of publication	Complexes of N-chloroquinuclidinium with chloride: strong halogen bonding via chlorine atoms
Authors of publication	Hardin, Maison; Zeller, Matthias; Rosokha, Sergiy V.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	48
Pages of publication	6784 - 6788
a	7.0792 ± 0.0008 Å
b	10.8984 ± 0.0012 Å
c	11.037 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	851.53 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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