Crystallography Open Database

Information card for entry 7017384

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Coordinates	7017384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H56 Mg N4
Calculated formula	C47 H56 Mg N4
Title of publication	Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.
Authors of publication	Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	46
Pages of publication	12500 - 12509
a	18.3245 ± 0.0002 Å
b	10.8579 ± 0.0001 Å
c	22.0748 ± 0.0003 Å
α	90°
β	108.966 ± 0.001°
γ	90°
Cell volume	4153.68 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/a 1
Hall space group symbol	-P 2ya
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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