Crystallography Open Database

Information card for entry 7125323

Preview

Coordinates	7125323.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PTBCo(Br)3(NEt4)2
Formula	C40 H57 B Br3 Co N2 P
Calculated formula	C40 H57 B Br3 Co N2 P
Title of publication	Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.
Authors of publication	Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	57
Pages of publication	7916 - 7919
a	13.563 ± 0.001 Å
b	16.1347 ± 0.0013 Å
c	18.638 ± 0.0016 Å
α	90°
β	95.679 ± 0.004°
γ	90°
Cell volume	4058.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1737
Residual factor for significantly intense reflections	0.1602
Weighted residual factors for significantly intense reflections	0.4098
Weighted residual factors for all reflections included in the refinement	0.4362
Goodness-of-fit parameter for all reflections included in the refinement	2.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236762 (current)	2019-11-24	cif/ Adding structures of 7125321, 7125322, 7125323, 7125324, 7125325, 7125326, 7125327, 7125328 via cif-deposit CGI script.	7125323.cif