Crystallography Open Database

Information card for entry 7700016

Preview

Coordinates	7700016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H45 Al N P
Calculated formula	C40.9994 H44.9994 Al N P
Title of publication	Reaction of an N/Al FLP-based aluminum hydride toward alkynes: deprotonated alumination versus hydroalumination with regioselective cis-addition character.
Authors of publication	Chen, Yilin; Jiang, Wenjun; Li, Bin; Fu, Gang; Chen, Shimin; Zhu, Hongping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	25
Pages of publication	9152 - 9160
a	13.9919 ± 0.0003 Å
b	14.7539 ± 0.0004 Å
c	18.776 ± 0.0004 Å
α	90°
β	92.469 ± 0.002°
γ	90°
Cell volume	3872.43 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0775
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2129
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224208 (current)	2019-11-08	cif/ Updating files of 7700016, 7700017, 7700018, 7700019 Original log message: Adding full bibliography for 7700016--7700019.cif.	7700016.cif
215292	2019-05-18	cif/ Adding structures of 7700016, 7700017, 7700018, 7700019 via cif-deposit CGI script.	7700016.cif