Crystallography Open Database

Information card for entry 4516868

Preview

Coordinates	4516868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H94 Al2 N2 P2 Si2
Calculated formula	C66 H94 Al2 N2 P2 Si2
Title of publication	N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.
Authors of publication	Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong
Journal of publication	ACS omega
Year of publication	2017
Journal volume	2
Journal issue	6
Pages of publication	2405 - 2414
a	11.2201 ± 0.0003 Å
b	17.0091 ± 0.0005 Å
c	34.4339 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6571.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
239603 (current)	2019-11-24	cif/ Adding structures of 4516864, 4516865, 4516866, 4516867, 4516868, 4516869, 4516870, 4516871 via cif-deposit CGI script.	4516868.cif