Crystallography Open Database

Information card for entry 7709460

Preview

Coordinates	7709460.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PB-208
Formula	C10 H12 N O6 P W
Calculated formula	C10 H12 N O6 P W
SMILES	[W]([PH]1OCCN1C(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	1,3,2-Diheterophospholane complexes: access to new tuneable precursors of phosphanoxyl complexes and P-functional polymers
Authors of publication	Brehm, Philipp; Müller-Feyen , Anne Sophie; Schnakenburg, Gregor; Streubel, R.
Journal of publication	Dalton Transactions
Year of publication	2022
a	6.5169 ± 0.0011 Å
b	18.469 ± 0.004 Å
c	12.033 ± 0.002 Å
α	90°
β	102.349 ± 0.013°
γ	90°
Cell volume	1414.8 ± 0.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
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	0.0433
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	0.876
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
272905 (current)	2022-02-11	cif/ Adding structures of 7709456, 7709457, 7709458, 7709459, 7709460, 7709461 via cif-deposit CGI script.	7709460.cif