Crystallography Open Database

Information card for entry 7037221

Preview

Coordinates	7037221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H40 N2 O4 P2 W
Calculated formula	C54 H40 N2 O4 P2 W
SMILES	[W]([p]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)([p]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].N#CC.N#CC
Title of publication	2,4,6-Triphenylphosphinine and 2,4,6-triphenylposphabarrelene revisited: synthesis, reactivity and coordination chemistry.
Authors of publication	Rigo, M.; Sklorz, J. A. W.; Hatje, N.; Noack, F.; Weber, M.; Wiecko, J.; Müller, C
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	5
Pages of publication	2218 - 2226
a	29.1358 ± 0.0014 Å
b	11.535 ± 0.0006 Å
c	15.4712 ± 0.0007 Å
α	90°
β	119.742 ± 0.001°
γ	90°
Cell volume	4514.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
176071 (current)	2016-02-05	cif/ Updating files of 7037218, 7037219, 7037220, 7037221 Original log message: Adding full bibliography for 7037218--7037221.cif.	7037221.cif
170295	2015-11-14	cif/ Adding structures of 7037218, 7037219, 7037220, 7037221 via cif-deposit CGI script.	7037221.cif