Crystallography Open Database

Information card for entry 7714593

Preview

Coordinates	7714593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H53 B2 Cl2 F20 P Si
Calculated formula	C65 H53 B2 Cl2 F20 P Si
SMILES	[P+](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)(/C(c1ccccc1)=C/[B](CC([Si](C)(C)C)B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(c(F)c1F)F)(c1c(F)c(c(F)c(F)c1F)F)c1c(F)c(F)c(F)c(F)c1F)c1c(C)cc(cc1C)C.ClCCl
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	17.9443 ± 0.0016 Å
b	14.7942 ± 0.0013 Å
c	23.1941 ± 0.0017 Å
α	90°
β	94.749 ± 0.005°
γ	90°
Cell volume	6136.2 ± 0.9 Å³
Cell temperature	150.01 K
Ambient diffraction temperature	150.01 K
Number of distinct elements	7
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	0.1493
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.2141
Weighted residual factors for all reflections included in the refinement	0.2696
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	7714593.cif
287912	2023-12-01	cif/ Adding structures of 7714584, 7714585, 7714586, 7714587, 7714588, 7714589, 7714590, 7714591, 7714592, 7714593 via cif-deposit CGI script.	7714593.cif