Crystallography Open Database

Information card for entry 1556366

Preview

Coordinates	1556366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H35 N O7 P Si2 W
Calculated formula	C19 H35 N O7 P Si2 W
SMILES	C(N(C(C)C)C(C)C)(O[PH](C([Si](C)(C)C)[Si](C)(C)C)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])=O
Title of publication	Deoxygenation of carbon dioxide by electrophilic terminal phosphinidene complexes
Authors of publication	Schulten, Christian; von Frantzius, Gerd; Schnakenburg, Gregor; Espinosa, Arturo; Streubel, Rainer
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	12
Pages of publication	3526
a	10.762 ± 0.0003 Å
b	11.0051 ± 0.0003 Å
c	25.8757 ± 0.0009 Å
α	85.0791 ± 0.0015°
β	82.5425 ± 0.0016°
γ	64.607 ± 0.0015°
Cell volume	2743.58 ± 0.15 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	0.0791
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	0.878
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
244380 (current)	2019-11-28	cif/ Adding structures of 1556366 via cif-deposit CGI script.	1556366.cif