Crystallography Open Database

Information card for entry 7700530

Preview

Coordinates	7700530.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2b in manuscript
Formula	C39 H16 B F15 N O P
Calculated formula	C39 H16 B F15 N O P
Title of publication	Organophosphorus-B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> adducts: towards new solid-state emitting materials.
Authors of publication	Regulska, Elzbieta; Christ, Sonja; Zimmermann, Johannes; Rominger, Frank; Hernandez-Sosa, Gerardo; Romero-Nieto, Carlos
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	34
Pages of publication	12803 - 12807
a	9.9754 ± 0.0015 Å
b	30.114 ± 0.003 Å
c	10.9427 ± 0.0016 Å
α	90°
β	95.823 ± 0.012°
γ	90°
Cell volume	3270.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224512 (current)	2019-11-08	cif/ Updating files of 7700529, 7700530 Original log message: Adding full bibliography for 7700529--7700530.cif.	7700530.cif
217047	2019-07-16	cif/ Adding structures of 7700529, 7700530 via cif-deposit CGI script.	7700530.cif