Crystallography Open Database

Information card for entry 4321514

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Coordinates	4321514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Cu2 I2 N2
Calculated formula	C8 H6 Cu2 I2 N2
Title of publication	Coordination Polymers of Copper(I) Halides
Authors of publication	Peter M. Graham; Robert D. Pike; Michal Sabat; Rosa D. Bailey; William T. Pennington
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5121 - 5132
a	4.3718 ± 0.0006 Å
b	17.718 ± 0.002 Å
c	14.7481 ± 0.0004 Å
α	90°
β	110.163 ± 0.0006°
γ	90°
Cell volume	1072.37 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	5
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	0.0668
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for all reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections	1.318
Goodness-of-fit parameter for all reflections included in the refinement	1.318
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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