Crystallography Open Database

Information card for entry 7049611

Preview

Coordinates	7049611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H74 B2 Mg2 N4 O6
Calculated formula	C54 H74 B2 Mg2 N4 O6
Title of publication	The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.
Authors of publication	Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	17
Pages of publication	5785 - 5792
a	18.7772 ± 0.0002 Å
b	13.7778 ± 0.0001 Å
c	20.961 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5422.79 ± 0.09 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224111 (current)	2019-11-07	cif/ Updating files of 7049610, 7049611, 7049612, 7049613, 7049614, 7049615, 7049616, 7049617, 7049618 Original log message: Adding full bibliography for 7049610--7049618.cif.	7049611.cif
214553	2019-04-09	cif/ Adding structures of 7049610, 7049611, 7049612, 7049613, 7049614, 7049615, 7049616, 7049617, 7049618 via cif-deposit CGI script.	7049611.cif