Crystallography Open Database

Information card for entry 4318679

Preview

Coordinates	4318679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H51 Mg N O2 Si
Calculated formula	C27 H51 Mg N O2 Si
Title of publication	A Novel Group of Alkaline Earth Metal Amides: Syntheses and Characterization of M[N(2,6-iPr2C6H3)(SiMe3)]2(THF)2 (M = Mg, Ca, Sr, Ba) and the Linear, Two-Coordinate Mg[N(2,6-iPr2C6H3)(SiMe3)]2
Authors of publication	Wilda Vargas; Ulrich Englich; Karin Ruhlandt-Senge
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5602 - 5608
a	9.5413 ± 0.0014 Å
b	16.493 ± 0.002 Å
c	9.8218 ± 0.0014 Å
α	90°
β	108.149 ± 0.002°
γ	90°
Cell volume	1468.7 ± 0.3 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1232
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.1891
Weighted residual factors for all reflections included in the refinement	0.2069
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179266 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/86.	4318679.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318679.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318679.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4318679.cif
15400	2011-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4318679 via cif-deposit CGI script.	4318679.cif