Crystallography Open Database

Information card for entry 7705428

Preview

Coordinates	7705428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H111 Mg2 N12
Calculated formula	C74 H111 Mg2 N12
SMILES	[Mg]123N(c4c(cccc4C(C)C)C(C)C)C(=[N]1CCC[N]1[Mg]4(N(C(=[N]4CCC[N]3=C(N2c2c(cccc2C(C)C)C(C)C)N2CCCC2)N2CCCC2)c2c(cccc2C(C)C)C(C)C)N(C1=[N]1CCCC1)c1c(cccc1C(C)C)C(C)C)N1CCCC1
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	10.6932 ± 0.0002 Å
b	30.0479 ± 0.0006 Å
c	22.9544 ± 0.0004 Å
α	90°
β	102.733 ± 0.002°
γ	90°
Cell volume	7194.1 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
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	0.0478
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257500 (current)	2020-10-06	cif/ Updating files of 7705422, 7705423, 7705424, 7705425, 7705426, 7705427, 7705428 Original log message: Adding full bibliography for 7705422--7705428.cif.	7705428.cif
256419	2020-09-15	cif/ Adding structures of 7705422, 7705423, 7705424, 7705425, 7705426, 7705427, 7705428 via cif-deposit CGI script.	7705428.cif