Crystallography Open Database

Information card for entry 7042059

7042058 << 7042059 >> 7042060

Preview

Coordinates	7042059.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PB-47
Formula	C30 H23 F6 Ge O7 P W
Calculated formula	C30 H23 F6 Ge O7 P W
SMILES	[W]([P]1(O[Ge](OC(C1)(C(F)(F)F)C(F)(F)F)(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Ring opening of a sterically crowded 1,2-oxaphosphetane complex.
Authors of publication	Kyri, A. W.; Brehm, P.; Schnakenburg, G.; Streubel, R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	9
Pages of publication	2904 - 2909
a	9.0079 ± 0.0002 Å
b	13.1369 ± 0.0003 Å
c	13.2698 ± 0.0002 Å
α	92.897 ± 0.001°
β	97.673 ± 0.001°
γ	90.171 ± 0.001°
Cell volume	1554.17 ± 0.05 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
193833 (current)	2017-03-05	cif/ Updating files of 7042059, 7042060, 7042061, 7042062 Original log message: Adding full bibliography for 7042059--7042062.cif.	7042059.cif
192109	2017-02-15	cif/ Adding structures of 7042059, 7042060, 7042061, 7042062 via cif-deposit CGI script.	7042059.cif