Crystallography Open Database

Information card for entry 7236490

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Coordinates	7236490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H60 I4 N12 O8 Zn2
Calculated formula	C76 H60 I4 N12 O8 Zn2
Title of publication	Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane
Authors of publication	Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	23
Pages of publication	3117
a	32.2573 ± 0.0004 Å
b	9.3547 ± 0.0001 Å
c	25.2417 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7616.87 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.2108
Weighted residual factors for all reflections included in the refinement	0.2358
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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