Crystallography Open Database

Information card for entry 4329010

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Structure parameters

Formula	C26 H54 Li2 N16 Si2
Calculated formula	C26 H54 Li2 N16 Si2
SMILES	[Li]12([N]([Si](C)(C)C)(c3nc(N(C)C)nc(N(C)C)[n]13)[Li]1([N]2([Si](C)(C)C)c2nc(N(C)C)nc(N(C)C)[n]12)[N]#CN(C)C)[N]#CN(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	19.204 ± 0.008 Å
b	40.15 ± 0.02 Å
c	9.9 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7633 ± 6 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4329010.cif
179393	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.	4329010.cif
78050	2013-04-01	cif/ Adding structures of 4329010 via cif-deposit CGI script.	4329010.cif