Crystallography Open Database

Information card for entry 7129294

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Coordinates	7129294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 Cl2 N6 O8 Zn
Calculated formula	C34 H24 Cl2 N6 O8 Zn
Title of publication	An NAD±type earth-abundant metal complex enabling photo-driven alcohol oxidation
Authors of publication	Ohtsu, Hideki; Takaoka, Mikio; Tezuka, Yosuke; Tsuge, Kiyoshi; Tanaka, Koji
Journal of publication	Chemical Communications
Year of publication	2021
a	14.5549 ± 0.0008 Å
b	11.5644 ± 0.0007 Å
c	17.9363 ± 0.001 Å
α	90°
β	90.772 ± 0.006°
γ	90°
Cell volume	3018.7 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
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	0.0831
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1783
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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