Crystallography Open Database

Information card for entry 4128135

Preview

Coordinates	4128135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H152 Al2 Li2 O10 P4 Si4
Calculated formula	C76 H152 Al2 Li2 O10 P4 Si4
SMILES	[C@]12(C3=C([C@](P4P2P2[C@@]5(C6=C([C@](P42)([Al]5(CC)CC)[Si](C)(C)C)CCCC6)[Si](C)(C)C)([Al]1(CC)CC)[Si](C)(C)C)CCCC3)[Si](C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
Title of publication	Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.
Authors of publication	Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	17
Pages of publication	6843 - 6847
a	16.4422 ± 0.0002 Å
b	20.0536 ± 0.0003 Å
c	27.5154 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	9072.5 ± 0.2 Å³
Cell temperature	180 ± 0.3 K
Ambient diffraction temperature	180 ± 0.3 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1997
Weighted residual factors for all reflections included in the refinement	0.2094
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
221264 (current)	2019-11-03	cif/ Adding structures of 4128134, 4128135, 4128136, 4128137, 4128138 via cif-deposit CGI script.	4128135.cif