Crystallography Open Database

Information card for entry 4063933

Preview

Coordinates	4063933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H76 Mg N8 O2 P2 Si2
Calculated formula	C36 H76 Mg N8 O2 P2 Si2
SMILES	c1(cc(cc(c1N([Mg]([O]=P(N(C)C)(N(C)C)N(C)C)(N(c1c(cc(cc1C)C)C)[Si](C)(C)C)[O]=P(N(C)C)(N(C)C)N(C)C)[Si](C)(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	11.691 ± 0.008 Å
b	11.691 ± 0.008 Å
c	34.74 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	4748 ± 6 Å³
Cell temperature	97 ± 2 K
Ambient diffraction temperature	97 ± 2 K
Number of distinct elements	7
Space group number	91
Hermann-Mauguin space group symbol	P 41 2 2
Hall space group symbol	P 4w 2c
Residual factor for all reflections	0.0893
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	0.911
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.	4063933.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063933.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063933.cif
32727	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4063933 via cif-deposit CGI script.	4063933.cif