Crystallography Open Database

Information card for entry 7236489

Preview

Coordinates	7236489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H66 Cl4 N14 O8 Zn2
Calculated formula	C80 H62 Cl4 N14 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	32.2944 ± 0.0008 Å
b	9.5094 ± 0.0002 Å
c	25.206 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7740.8 ± 0.3 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	0.0977
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1963
Weighted residual factors for all reflections included in the refinement	0.2219
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7236489.html