Crystallography Open Database

Information card for entry 7020848

7020847 << 7020848 >> 7020849

Preview

Coordinates	7020848.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Mg{HC(C(Me)NAr')2}(BH4)(THF)
Formula	C33 H53 B Mg N2 O
Calculated formula	C33 H53 B Mg N2 O
SMILES	[Mg]123([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)[H][BH]([H]2)[H]3
Title of publication	Synthesis and rac-lactide ring-opening polymerisation studies of new alkaline earth tetrahydroborate complexes.
Authors of publication	Collins, Richard A.; Unruangsri, Junjuda; Mountford, Philip
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	3
Pages of publication	759 - 769
a	8.935 ± 0.0006 Å
b	16.675 ± 0.0012 Å
c	22.6408 ± 0.0015 Å
α	79.081 ± 0.006°
β	90.008 ± 0.005°
γ	82.717 ± 0.006°
Cell volume	3284.5 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for all reflections	0.0758
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.1343
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7020848.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020848.cif
73686	2013-02-21	cif/ Adding structures of 7020848, 7020849, 7020850 via cif-deposit CGI script.	7020848.cif