Crystallography Open Database

Information card for entry 7132928

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Coordinates	7132928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H80 B2 N6 Ni2 O4
Calculated formula	C90 H80 B2 N6 Ni2 O4
Title of publication	Kinetic isotope effect offers selectivity in CO<sub>2</sub> reduction.
Authors of publication	Patra, Suman; Atta, Sayan; Ghosh, Soumili; Majumdar, Amit; Dey, Abhishek
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	36
Pages of publication	4826 - 4829
a	32.431 ± 0.002 Å
b	24.9205 ± 0.0017 Å
c	24.931 ± 0.003 Å
α	90°
β	123.299 ± 0.001°
γ	90°
Cell volume	16841 ± 3 Å³
Cell temperature	145 ± 2 K
Ambient diffraction temperature	144.99 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	0.0475
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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