Crystallography Open Database

Information card for entry 7113382

Preview

Coordinates	7113382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H61 Mg N4 Na
Calculated formula	C28 H61 Mg N4 Na
SMILES	[Mg]1([N]2(C(CCCC2(C)C)(C)C)[Na]2([N](CC[N]2(C)C)(C)C)[CH2]1CCC)N1C(CCCC1(C)C)(C)C
Title of publication	Isolation and characterisation of the mixed-metal alkyl amide [(TMEDA)Na(mu-Bu)(mu-TMP)Mg(TMP)], an unexpected chelate-trapped intermediate in the formation of inverse crowns.
Authors of publication	Hevia, Eva; Gallagher, Daniel J.; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Talmard, Christine
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	21
Pages of publication	2422 - 2423
a	10.2664 ± 0.0006 Å
b	10.9478 ± 0.0007 Å
c	15.3294 ± 0.0008 Å
α	97.037 ± 0.003°
β	106.436 ± 0.004°
γ	96.617 ± 0.002°
Cell volume	1619.62 ± 0.17 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
180247 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33.	7113382.cif
114613	2014-05-28	cif/ Adding structures of 7113382, 7113383 via cif-deposit CGI script.	7113382.cif