Crystallography Open Database

Information card for entry 7219899

7219898 << 7219899 >> 7219900

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Coordinates	7219899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H7 Bi I4 N2
Calculated formula	C4 H7 Bi I4 N2
Title of publication	Periodic and incommensurately modulated phases in a (2-methylimidazolium)tetraiodobismuthate(iii) thermochromic organic‒inorganic hybrid
Authors of publication	Gągor, A.; Węcławik, M.; Bondzior, B.; Jakubas, R.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	17
Pages of publication	3286
a	13.7359 ± 0.0008 Å
b	13.0043 ± 0.0008 Å
c	7.8727 ± 0.0004 Å
α	90°
β	94.636 ± 0.006°
γ	90°
Cell volume	1401.67 ± 0.14 Å³
Cell temperature	330 ± 1 K
Ambient diffraction temperature	330 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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