Crystallography Open Database

Information card for entry 7705423

Preview

Coordinates	7705423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H116 Mg2 N12
Calculated formula	C79 H116 Mg2 N12
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	9.499 ± 0.0002 Å
b	20.0527 ± 0.0003 Å
c	19.9097 ± 0.0003 Å
α	90°
β	103.793 ± 0.002°
γ	90°
Cell volume	3683.05 ± 0.11 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1303
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	Yes
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.	7705423.cif
256419	2020-09-15	cif/ Adding structures of 7705422, 7705423, 7705424, 7705425, 7705426, 7705427, 7705428 via cif-deposit CGI script.	7705423.cif