Crystallography Open Database

Information card for entry 4329011

Preview

Coordinates	4329011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H51 Mn N11 Si3
Calculated formula	C22 H51 Mn N11 Si3
SMILES	[Mn]12([N]([Si](C)(C)C)=C(N(C)C)N=C(N(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)c1nc(nc([n]21)N(C)C)N(C)C
Title of publication	From Lithium Bis(trimethylsilyl)amide with Cyanoamine into Triazine Compounds: Synthesis and Structures of Lithium 6-((Trimethylsilyl)amido)-2,4-bis(dimethylamino)[1,3,5]triazines and Their Manganese and Cobalt Complexes
Authors of publication	Meisu Zhou; Xiaoli Qiao; Hongbo Tong; Tao Gong; Mei Fan; Qiaokun Yang; Qingchen Dong; Jianbin Chao; Zhiqiang Guo; Diansheng Liu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4925 - 4930
a	10.603 ± 0.003 Å
b	12.021 ± 0.004 Å
c	14.728 ± 0.004 Å
α	80.444 ± 0.004°
β	80.618 ± 0.003°
γ	72.426 ± 0.003°
Cell volume	1752 ± 0.9 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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	0.1125
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.2256
Weighted residual factors for all reflections included in the refinement	0.2783
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
179393 (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 4/32/90.	4329011.cif
78051	2013-04-01	cif/ Adding structures of 4329011 via cif-deposit CGI script.	4329011.cif