Crystallography Open Database

Information card for entry 7714592

Preview

Coordinates	7714592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H26 B2 F20 N2
Calculated formula	C42 H26 B2 F20 N2
SMILES	Fc1c(F)c(F)c(F)c(F)c1[B](c1c(F)c(F)c(F)c(F)c1F)(CC(c1ccccc1)[B](C#[N]C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C#[N]C(C)(C)C
Title of publication	Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.
Authors of publication	Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	1178 - 1189
a	13.2715 ± 0.001 Å
b	15.8466 ± 0.0012 Å
c	19.8998 ± 0.0016 Å
α	90°
β	90.507 ± 0.004°
γ	90°
Cell volume	4184.9 ± 0.6 Å³
Cell temperature	149.99 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.0666
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
289556 (current)	2024-02-04	cif/ Updating files of 7714584, 7714585, 7714586, 7714587, 7714588, 7714589, 7714590, 7714591, 7714592, 7714593 Original log message: Adding full bibliography for 7714584--7714593.cif.	7714592.cif
287912	2023-12-01	cif/ Adding structures of 7714584, 7714585, 7714586, 7714587, 7714588, 7714589, 7714590, 7714591, 7714592, 7714593 via cif-deposit CGI script.	7714592.cif