Crystallography Open Database

Information card for entry 7705425

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Structure parameters

Formula	C72 H112 Mg2 N8
Calculated formula	C72 H112 Mg2 N8
SMILES	[Mg]123N(c4c(cccc4C(C)C)C(C)C)C(=[N]1CC[N]1=C(N(c4c(cccc4C(C)C)C(C)C)[Mg]41[N](=C(N4c1c(cccc1C(C)C)C(C)C)C(C)(C)C)CC[N]3=C(N2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.
Authors of publication	Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	37
Pages of publication	13072 - 13082
a	9.8996 ± 0.0002 Å
b	12.4467 ± 0.0002 Å
c	31.2573 ± 0.0005 Å
α	93.288 ± 0.001°
β	97.15 ± 0.001°
γ	108.083 ± 0.002°
Cell volume	3613.88 ± 0.12 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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