Crystallography Open Database

Information card for entry 7026764

Preview

Coordinates	7026764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H63 Mg N3
Calculated formula	C40 H63 Mg N3
SMILES	[Mg](CCCC)(N1C(CCCC1(C)C)(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	N-Heterocyclic carbene stabilized adducts of alkyl magnesium amide, bisalkyl magnesium and Grignard reagents: trapping oligomeric organo s-block fragments with NHCs.
Authors of publication	Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	38
Pages of publication	9091 - 9099
a	18.798 ± 0.0008 Å
b	11.7552 ± 0.0005 Å
c	17.4673 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3859.8 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
179973 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/67.	7026764.cif
93595	2014-01-13	cif/ Adding structures of 7026764, 7026765, 7026766, 7026767, 7026768, 7026769 via cif-deposit CGI script.	7026764.cif