Crystallography Open Database

Information card for entry 7047339

Preview

Coordinates	7047339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H21 B F15 N O
Calculated formula	C38 H21 B F15 N O
Title of publication	Synthesis and photophysical properties of imine borane adducts towards vapochromic materials.
Authors of publication	Soltani, Yashar; Adams, Samuel J.; Börger, Jennifer; Wilkins, Lewis C.; Newman, Paul D.; Pope, Simon J. A.; Melen, Rebecca L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	36
Pages of publication	12656 - 12660
a	10.8591 ± 0.0005 Å
b	11.0549 ± 0.0004 Å
c	15.5476 ± 0.0007 Å
α	75.088 ± 0.004°
β	69.996 ± 0.004°
γ	84.603 ± 0.004°
Cell volume	1694.72 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
229922 (current)	2019-11-17	cif/ Updating files of 7047339 Original log message: Adding full bibliography for 7047339.cif.	7047339.cif
210104	2018-08-24	cif/ Adding structures of 7047339 via cif-deposit CGI script.	7047339.cif