Crystallography Open Database

Information card for entry 1540027

Preview

Coordinates	1540027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 Cr N2 O6 P Si2
Calculated formula	C23 H27 Cr N2 O6 P Si2
SMILES	[Cr]([P]1(OC1(c1ncccc1)c1ncccc1)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes.
Authors of publication	Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	5
Pages of publication	2085 - 2094
a	21.2057 ± 0.0004 Å
b	52.0922 ± 0.001 Å
c	9.9308 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	10970.1 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0225
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0586
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
176078 (current)	2016-02-05	cif/ Updating files of 1540026, 1540027, 1540028 Original log message: Adding full bibliography for 1540026--1540028.cif.	1540027.cif
169164	2015-10-15	cif/ Adding structures of 1540026, 1540027, 1540028 via cif-deposit CGI script.	1540027.cif