Crystallography Open Database

Information card for entry 7714505

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Coordinates	7714505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H70 N6 Ni2 O9
Calculated formula	C78 H70 N6 Ni2 O9
Title of publication	Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.
Authors of publication	Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	53
Journal issue	1
Pages of publication	299 - 314
a	15.0623 ± 0.0012 Å
b	47.324 ± 0.004 Å
c	11.6909 ± 0.0008 Å
α	90°
β	112.23 ± 0.002°
γ	90°
Cell volume	7714 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1814
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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