Crystallography Open Database

Information card for entry 7046905

Preview

Coordinates	7046905.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	JF-179
Formula	C19 H21 Cr O6 P
Calculated formula	C19 H21 Cr O6 P
Title of publication	Effects of diminished steric protection at phosphorus on stability and reactivity of oxaphosphirane complexes.
Authors of publication	Fassbender, J.; Schnakenburg, G.; Espinosa Ferao, A.; Streubel, R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	28
Pages of publication	9347 - 9354
a	9.8816 ± 0.0004 Å
b	15.0671 ± 0.0007 Å
c	16.0872 ± 0.0005 Å
α	110.802 ± 0.003°
β	95.641 ± 0.003°
γ	108.864 ± 0.002°
Cell volume	2056.37 ± 0.16 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.0959
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
229207 (current)	2019-11-17	cif/ Updating files of 7046902, 7046903, 7046904, 7046905 Original log message: Adding full bibliography for 7046902--7046905.cif.	7046905.cif
208710	2018-06-28	cif/ Adding structures of 7046902, 7046903, 7046904, 7046905 via cif-deposit CGI script.	7046905.cif