Crystallography Open Database

Information card for entry 7039449

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Structure parameters

Formula	C28 H52 Li2 N4 O2 P2
Calculated formula	C28 H52 Li2 N4 O2 P2
SMILES	[Li]1([O]2CCCC2)[n]2c(C(C)(C)C)pc(C(C)(C)C)n2[Li]([O]2CCCC2)[n]2c(C(C)(C)C)pc(C(C)(C)C)n12
Title of publication	Paddlewheel 1,2,4-diazaphospholide distibines with the shortest antimony-antimony single bonds.
Authors of publication	Zhao, Minggang; Wang, Lixia; Zhang, Xiang; Zheng, Wenjun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	26
Pages of publication	10505 - 10509
a	9.9007 ± 0.0011 Å
b	18.4778 ± 0.001 Å
c	10.4804 ± 0.001 Å
α	90°
β	114.866 ± 0.012°
γ	90°
Cell volume	1739.6 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1727
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7039449.cif
212870	2019-01-06	cif/7 Fixing some Z values and formulae	7039449.cif
185340	2016-08-07	cif/ Updating files of 7039448, 7039449, 7039450, 7039451, 7039452 Original log message: Adding full bibliography for 7039448--7039452.cif.	7039449.cif
183381	2016-06-11	cif/ Adding structures of 7039448, 7039449, 7039450, 7039451, 7039452 via cif-deposit CGI script.	7039449.cif