Crystallography Open Database

Information card for entry 7125328

Preview

Coordinates	7125328.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Co(PTB)2Br2
Formula	C144 H168 B4 Br4 Co3 N6 O6 P4
Calculated formula	C144 H168 B4 Br4 Co3 N6 O6 P4
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	22.776 ± 0.002 Å
b	11.6346 ± 0.0012 Å
c	27.261 ± 0.003 Å
α	90°
β	113.332 ± 0.003°
γ	90°
Cell volume	6633.2 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0946
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7125328.cif