Crystallography Open Database

Information card for entry 7700529

Preview

Coordinates	7700529.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2a in manuscript
Formula	C38 H13 B F15 O P S
Calculated formula	C38 H13 B F15 O P S
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	10.0001 ± 0.0003 Å
b	29.9868 ± 0.0008 Å
c	10.9105 ± 0.0003 Å
α	90°
β	96.102 ± 0.003°
γ	90°
Cell volume	3253.21 ± 0.16 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	0.072
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.213
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.	7700529.cif
217047	2019-07-16	cif/ Adding structures of 7700529, 7700530 via cif-deposit CGI script.	7700529.cif