Crystallography Open Database

Information card for entry 7230726

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Coordinates	7230726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 I2 N2
Calculated formula	C15 H12 I2 N2
Title of publication	From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials
Authors of publication	González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	23
Pages of publication	3167
a	7.7955 ± 0.0005 Å
b	36.484 ± 0.007 Å
c	10.5534 ± 0.0011 Å
α	90°
β	105.088 ± 0.007°
γ	90°
Cell volume	2898 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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