Crystallography Open Database

Information card for entry 7037360

Preview

Coordinates	7037360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H110 Mg N3 Na O6 Si
Calculated formula	C69 H110 Mg N3 Na O6 Si
Title of publication	Assessing the reactivity of sodium alkyl-magnesiates towards quinoxaline: single electron transfer (SET) vs. nucleophilic alkylation processes.
Authors of publication	Livingstone, Zoe; Hernán-Gómez, Alberto; Baillie, Sharon E.; Armstrong, David R.; Carrella, Luca M.; Clegg, William; Harrington, Ross W.; Kennedy, Alan R.; Rentschler, Eva; Hevia, Eva
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	6175 - 6182
a	13.3693 ± 0.0004 Å
b	20.9222 ± 0.0006 Å
c	24.82 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6942.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.1919
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
181732 (current)	2016-04-05	cif/ Updating files of 7037359, 7037360, 7037361, 7037362 Original log message: Adding full bibliography for 7037359--7037362.cif.	7037360.cif
170438	2015-11-21	cif/ Adding structures of 7037359, 7037360, 7037361, 7037362 via cif-deposit CGI script.	7037360.cif