Crystallography Open Database

Information card for entry 7705034

Preview

Coordinates	7705034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H124 Mg2 N4
Calculated formula	C134 H124 Mg2 N4
SMILES	[Mg]12([N](=C(N1c1c(C(C)C)cccc1C(C)C)c1ccc(cc1)C)c1c(C(c3ccccc3)c3ccccc3)cc(cc1C(c1ccccc1)c1ccccc1)C)[C](#Cc1ccccc1)[Mg]1([N](=C(N1c1c(C(C)C)cccc1C(C)C)c1ccc(cc1)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)[C]2#Cc1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Magnesium hydrides bearing sterically demanding amidinate ligands: synthesis, reactivity and catalytic application.
Authors of publication	Bakewell, Clare
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	32
Pages of publication	11354 - 11360
a	15.379 ± 0.0004 Å
b	17.8137 ± 0.0005 Å
c	23.3393 ± 0.0005 Å
α	88.579 ± 0.002°
β	74.671 ± 0.002°
γ	79.266 ± 0.002°
Cell volume	6056.6 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.054
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
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
256067 (current)	2020-09-06	cif/ Updating files of 7705030, 7705031, 7705032, 7705033, 7705034 Original log message: Adding full bibliography for 7705030--7705034.cif.	7705034.cif
254829	2020-08-05	cif/ Adding structures of 7705030, 7705031, 7705032, 7705033, 7705034 via cif-deposit CGI script.	7705034.cif