Crystallography Open Database

Information card for entry 1557546

Preview

Coordinates	1557546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C137.5 H189.63 I0.04 Mg2 N4 O0.13
Calculated formula	C137.5 H189.63 I0.034 Mg2 N4 O0.13
Title of publication	Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation
Authors of publication	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	13
Pages of publication	3516 - 3522
a	18.2067 ± 0.0001 Å
b	26.3297 ± 0.0001 Å
c	25.8355 ± 0.0002 Å
α	90°
β	105.806 ± 0.001°
γ	90°
Cell volume	11916.7 ± 0.14 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1816
Weighted residual factors for all reflections included in the refinement	0.1881
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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