Crystallography Open Database

Information card for entry 7048442

Preview

Coordinates	7048442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 B F5 N2 O2 P
Calculated formula	C25 H21 B F5 N2 O2 P
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	9.2726 ± 0.0007 Å
b	10.5988 ± 0.0008 Å
c	12.9343 ± 0.0008 Å
α	107.415 ± 0.005°
β	91.051 ± 0.005°
γ	98.916 ± 0.006°
Cell volume	1195.41 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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 all reflections	0.1157
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	7048442.cif
212935	2019-01-11	cif/ Adding structures of 7048439, 7048440, 7048441, 7048442, 7048443, 7048444 via cif-deposit CGI script.	7048442.cif