Crystallography Open Database

Information card for entry 7131355

Preview

Coordinates	7131355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H83 Mg N3 Na2 Si3
Calculated formula	C48 H83 Mg N3 Na2 Si3
Title of publication	Cooperative dihydrogen activation at a Na(I)<sub>2</sub>/Mg(I)<sub>2</sub> ensemble.
Authors of publication	Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.; Morrison, Benjamin L.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	26
Pages of publication	3846 - 3849
a	10.4759 ± 0.0003 Å
b	12.0459 ± 0.0004 Å
c	23.1083 ± 0.0008 Å
α	76.271 ± 0.003°
β	78.238 ± 0.003°
γ	69.189 ± 0.003°
Cell volume	2624.9 ± 0.16 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282274 (current)	2023-04-04	cif/ Updating files of 7131355 Original log message: Adding full bibliography for 7131355.cif.	7131355.cif
281222	2023-03-02	cif/ Adding structures of 7131355 via cif-deposit CGI script.	7131355.cif