Crystallography Open Database

Information card for entry 4060830

Preview

Coordinates	4060830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 B2 F30 N Na O4
Calculated formula	C52 H38 B2 F30 N Na O4
SMILES	[B]([NH2][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(F)c(F)c(c1F)F)F)c1c(c(c(c(c1F)F)F)F)F.[Na]([O](CC)CC)([O](CC)CC)([O](CC)CC)[O](CC)CC
Authors of publication	Ren, Tong
Journal of publication	Organometallics
Year of publication	2002
a	11.922 ± 0.001 Å
b	14.594 ± 0.002 Å
c	16.754 ± 0.001 Å
α	86.75 ± 0.01°
β	74.75 ± 0.01°
γ	85.47 ± 0.01°
Cell volume	2801.6 ± 0.5 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1174
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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