Crystallography Open Database

Information card for entry 7709458

Preview

Coordinates	7709458.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PB-213
Formula	C11 H13 O7 P W
Calculated formula	C11 H13 O7 P W
SMILES	[W]([PH]1OC(C(O1)(C)C)(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	7.0371 ± 0.0003 Å
b	10.1674 ± 0.0004 Å
c	10.6647 ± 0.0004 Å
α	99.282 ± 0.003°
β	101.783 ± 0.003°
γ	91.016 ± 0.003°
Cell volume	736.17 ± 0.05 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	0.0156
Residual factor for significantly intense reflections	0.0147
Weighted residual factors for significantly intense reflections	0.0347
Weighted residual factors for all reflections included in the refinement	0.035
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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.	7709458.cif