Crystallography Open Database

Information card for entry 4069957

Preview

Coordinates	4069957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H104 K2 Mg N4 O3 Si2
Calculated formula	C64 H104 K2 Mg N4 O3 Si2
SMILES	[Mg]12(N([Si](N1c1c(cccc1C(C)C)C(C)C)(C)C)c1c(cccc1C(C)C)C(C)C)N([Si](N2c1c(cccc1C(C)C)C(C)C)(C)C)c1c(cccc1C(C)C)C(C)C.[K]([O]1CCCC1)[O]1CCCC1.[K][O]1CCCC1
Title of publication	Synthesis of Potassium−Magnesium Ate Complexes with a Bulky Diamido Ligand
Authors of publication	Pi, Chengfu; Wan, Li; Gu, Yingying; Wu, Haoyu; Wang, Chengxi; Zheng, Wenjun; Weng, Linhong; Chen, Zhenxia; Yang, Xiaodian; Wu, Limin
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5281
a	15.294 ± 0.003 Å
b	24.825 ± 0.006 Å
c	18.8 ± 0.004 Å
α	90°
β	112.095 ± 0.002°
γ	90°
Cell volume	6614 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
178588 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/99.	4069957.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069957.cif
40530	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069957 via cif-deposit CGI script.	4069957.cif