Crystallography Open Database

Information card for entry 4081708

Preview

Coordinates	4081708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H84 Mg2 O8
Calculated formula	C64 H84 Mg2 O8
Title of publication	Catalytic C‒C Bond Formation Promoted by Organo- and Amidomagnesium(II) Compounds
Authors of publication	Schwamm, Ryan J.; Coles, Martyn P.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	19
Pages of publication	5277
a	11.0212 ± 0.0006 Å
b	22.0516 ± 0.001 Å
c	12.0459 ± 0.0008 Å
α	90°
β	105.758 ± 0.007°
γ	90°
Cell volume	2817.6 ± 0.3 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.221
Weighted residual factors for all reflections included in the refinement	0.2294
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178706 (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 4/08/17.	4081708.cif
89793	2013-11-10	cif/ Adding structures of 4081706, 4081707, 4081708, 4081709, 4081710 via cif-deposit CGI script.	4081708.cif