Crystallography Open Database

Information card for entry 4083179

Preview

Coordinates	4083179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H64 Cl4 Mg5 N4 O6
Calculated formula	C32 H64 Cl4 Mg5 N4 O6
Title of publication	Reactions of Grignard Reagents with Nitrous Oxide
Authors of publication	Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	10
Pages of publication	2405
a	11.483 ± 0.002 Å
b	18.8942 ± 0.0015 Å
c	21.2253 ± 0.0017 Å
α	90°
β	100.705 ± 0.009°
γ	90°
Cell volume	4524.9 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0612
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0928
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
178720 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/31.	4083179.cif
115875	2014-06-05	cif/ Updating files of 4083179, 4083180, 4083181 Original log message: Adding full bibliography for 4083179--4083181.cif.	4083179.cif
113040	2014-05-08	cif/ Adding structures of 4083179, 4083180, 4083181 via cif-deposit CGI script.	4083179.cif