Crystallography Open Database

Information card for entry 8107370

Preview

Coordinates	8107370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H72 Al2 B2 O4
Calculated formula	C50 H72 Al2 B2 O4
Title of publication	The crystal structure of 1,4-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3,6-bis ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)-1,4-dialuminacyclohexane – benzene (1/2), C50H72Al2B2O4
Authors of publication	Wang, Bing; Hu, Bo-Han; Wu, Di
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	1
Pages of publication	119 - 121
a	8.7261 ± 0.0002 Å
b	11.1827 ± 0.0003 Å
c	13.8599 ± 0.0004 Å
α	112.78 ± 0.001°
β	102.541 ± 0.001°
γ	93.834 ± 0.001°
Cell volume	1199.98 ± 0.06 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
284475 (current)	2023-06-15	cif/ Adding structures of 8107370 via cif-deposit CGI script.	8107370.cif