Crystallography Open Database

Information card for entry 4063934

Preview

Coordinates	4063934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H106 Mg N11 O3 P3 Si2
Calculated formula	C48 H106 Mg N11 O3 P3 Si2
SMILES	[Mg]([N]([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)[O]=P(N(C)C)(N(C)C)N(C)C.[N-]([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Ligand and Coligand Effects on Ion Association in Magnesium Amides
Authors of publication	Torvisco, Ana; Ruhlandt-Senge, Karin
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	5
Pages of publication	986
a	11.415 ± 0.002 Å
b	21.724 ± 0.004 Å
c	12.806 ± 0.003 Å
α	90°
β	100.03 ± 0.03°
γ	90°
Cell volume	3127.1 ± 1.1 Å³
Cell temperature	96 ± 2 K
Ambient diffraction temperature	96 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178534 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/39.	4063934.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063934.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063934.cif
32728	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4063934 via cif-deposit CGI script.	4063934.cif