Crystallography Open Database

Information card for entry 7202831

7202830 << 7202831 >> 7202832

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Coordinates	7202831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H7 F4 I2 N O2
Calculated formula	C13 H7 F4 I2 N O2
Title of publication	Solution stoichiometry determines crystal stoichiometry in halogen-bonded supramolecular complexes
Authors of publication	Russo, Luca; Biella, Serena; Lahtinen, Manu; Liantonio, Rosalba; Metrangolo, Pierangelo; Resnati, Giuseppe; Rissanen, Kari
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	5
Pages of publication	341
a	6.4055 ± 0.0013 Å
b	9.589 ± 0.002 Å
c	13.479 ± 0.005 Å
α	78.22 ± 0.03°
β	86.37 ± 0.03°
γ	73.407 ± 0.015°
Cell volume	776.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0415
Weighted residual factors for all reflections included in the refinement	0.0459
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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