Crystallography Open Database

Information card for entry 7113140

Preview

Coordinates	7113140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H63 Mg N4 Na Si
Calculated formula	C28 H63 Mg N4 Na Si
SMILES	[CH2]1([Si](C)(C)C)[Mg]([N]2C(CCCC2(C)C)(C)C)[N]2(C(C)(C)CCCC2(C)C)[Na]21[N](C)(C)CC[N]2(C)C
Title of publication	Structural complexity of the magnesiation of furan: an octadecanuclear product with a subporphyrin-like Mg3(2,5-fur-di-yl)3 substructure.
Authors of publication	Blair, Victoria L.; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal issue	42
Pages of publication	5426 - 5428
a	14.847 ± 0.0002 Å
b	19.3771 ± 0.0003 Å
c	12.028 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3460.36 ± 0.14 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0732
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
180245 (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 7/11/31.	7113140.cif
112996	2014-05-07	cif/ Adding structures of 7113140, 7113141 via cif-deposit CGI script.	7113140.cif