Crystallography Open Database

Information card for entry 7039450

Preview

Coordinates	7039450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H72 N8 P4 Sb2
Calculated formula	C40 H72 N8 P4 Sb2
SMILES	CC(C)(C)C1=PC(=[N]2N1[Sb]13N4C(=PC(=[N]4[Sb]2([N]2=C(C(C)(C)C)P=C(C(C)(C)C)N12)[N]1=C(C(C)(C)C)P=C(C(C)(C)C)N31)C(C)(C)C)C(C)(C)C)C(C)(C)C
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	23.2715 ± 0.0012 Å
b	10.7778 ± 0.0004 Å
c	21.6431 ± 0.0014 Å
α	90°
β	114.457 ± 0.007°
γ	90°
Cell volume	4941.3 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1455
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
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
185340 (current)	2016-08-07	cif/ Updating files of 7039448, 7039449, 7039450, 7039451, 7039452 Original log message: Adding full bibliography for 7039448--7039452.cif.	7039450.cif
183381	2016-06-11	cif/ Adding structures of 7039448, 7039449, 7039450, 7039451, 7039452 via cif-deposit CGI script.	7039450.cif