Crystallography Open Database

Information card for entry 7037149

Preview

Coordinates	7037149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H58 Br2 Cu2 P2
Calculated formula	C46 H58 Br2 Cu2 P2
Title of publication	Unusual borane addition to conjugated dienylphosphanes under frustrated Lewis pair conditions.
Authors of publication	Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	6111 - 6117
a	11.3422 ± 0.0005 Å
b	13.9434 ± 0.0007 Å
c	15.1495 ± 0.0007 Å
α	81.832 ± 0.002°
β	71.968 ± 0.002°
γ	76.313 ± 0.002°
Cell volume	2207.35 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
181721 (current)	2016-04-05	cif/ Updating files of 7037148, 7037149, 7037150, 7037151, 7037152 Original log message: Adding full bibliography for 7037148--7037152.cif.	7037149.cif
170239	2015-11-12	cif/ Adding structures of 7037148, 7037149, 7037150, 7037151, 7037152 via cif-deposit CGI script.	7037149.cif