Crystallography Open Database

Information card for entry 4322709

Preview

Coordinates	4322709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H43 Mg N3 Si4
Calculated formula	C19 H43 Mg N2 Si4
SMILES	[Mg](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[n]1c(cccc1)C
Title of publication	Monomeric Three- and Four-Coordinate Magnesium Amides
Authors of publication	Jennifer L. Sebestl; T. Timothy Nadasdi; Mary Jane Heeg; Charles H. Winter
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	1289 - 1294
a	18.4536 ± 0.0014 Å
b	15.2326 ± 0.0009 Å
c	20.6143 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	5794.6 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2506
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for all reflections	0.2411
Weighted residual factors for significantly intense reflections	0.1784
Goodness-of-fit parameter for all reflections	0.94
Goodness-of-fit parameter for significantly intense reflections	1.178
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
179330 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/27.	4322709.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4322709.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322709.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322709.cif
21596	2011-06-24	../uploads/cif-deposit/cod/cif Adding structures of 4322709 via cif-deposit CGI script.	4322709.cif