Crystallography Open Database

Information card for entry 4336101

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Coordinates	4336101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Cu2 I8 N4
Calculated formula	C36 H32 Cu2 I8 N4
Title of publication	Hybrid Inorganic-Organic Polyrotaxane, Pseudorotaxane, and Sandwich
Authors of publication	Li Yu; Mian Li; Xiao-Ping Zhou; Dan Li
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10232 - 10234
a	7.5521 ± 0.0002 Å
b	17.2299 ± 0.0005 Å
c	17.7458 ± 0.0006 Å
α	90°
β	100.133 ± 0.003°
γ	90°
Cell volume	2273.1 ± 0.12 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	0.0785
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.2316
Weighted residual factors for all reflections included in the refinement	0.2363
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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