Crystallography Open Database

Information card for entry 7048444

Preview

Coordinates	7048444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H14 B2 F20 O4
Calculated formula	C40 H14 B2 F20 O4
Title of publication	Electrophilic boron carboxylate and phosphinate complexes.
Authors of publication	Zhu, Diya; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	6
Pages of publication	2038 - 2045
a	11.7743 ± 0.0011 Å
b	37.178 ± 0.003 Å
c	17.9821 ± 0.0017 Å
α	90°
β	106.016 ± 0.002°
γ	90°
Cell volume	7566 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.157
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
224144 (current)	2019-11-07	cif/ Updating files of 7048439, 7048440, 7048441, 7048442, 7048443, 7048444 Original log message: Adding full bibliography for 7048439--7048444.cif.	7048444.cif
212935	2019-01-11	cif/ Adding structures of 7048439, 7048440, 7048441, 7048442, 7048443, 7048444 via cif-deposit CGI script.	7048444.cif