Crystallography Open Database

Information card for entry 4517781

Preview

Coordinates	4517781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 N16 O16 Zn2
Calculated formula	C32 H32 N16 O16 Zn2
Title of publication	Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol
Authors of publication	Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.
Journal of publication	ACS Omega
Year of publication	2020
Journal volume	5
Journal issue	25
Pages of publication	14890 - 14899
a	16.747 ± 0.004 Å
b	16.263 ± 0.004 Å
c	16.884 ± 0.004 Å
α	90°
β	102.324 ± 0.004°
γ	90°
Cell volume	4492.5 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0906
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2137
Weighted residual factors for all reflections included in the refinement	0.2191
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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