Crystallography Open Database

Information card for entry 4085490

Preview

Coordinates	4085490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H57 Mg N3 O
Calculated formula	C40 H57 Mg N3 O
Title of publication	Kinetically Directed Reactivity of Magnesium Dihydropyridides with Organoisocyanates
Authors of publication	Hill, Michael S.; MacDougall, Dugald J.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Weetman, Catherine
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2590
a	17.9823 ± 0.0004 Å
b	19.5182 ± 0.0006 Å
c	13.2619 ± 0.0004 Å
α	90°
β	129.804 ± 0.001°
γ	90°
Cell volume	3575.91 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
178743 (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 4/08/54.	4085490.cif
140243	2015-07-05	cif/ Updating files of 4085488, 4085489, 4085490, 4085491, 4085492 Original log message: Adding full bibliography for 4085488--4085492.cif.	4085490.cif
131610	2015-02-10	cif/ Adding structures of 4085488, 4085489, 4085490, 4085491, 4085492 via cif-deposit CGI script.	4085490.cif