Crystallography Open Database

Information card for entry 7705254

Preview

Coordinates	7705254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 Au B Cl F6 N6 O2 P2 W
Calculated formula	C26 H33 Au B Cl F6 N6 O2 P2 W
SMILES	[Au](Cl)C([W]12([n]3n(c(cc3C)C)[BH](n3[n]2c(cc3C)C)n2[n]1c(cc2C)C)(C#[O])C#[O])=P(C)(C)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Metal coordination of phosphoniocarbynes.
Authors of publication	Onn, Chee S.; Hill, Anthony F.; Olding, Angus
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	36
Pages of publication	12731 - 12741
a	12.2679 ± 0.0005 Å
b	24.0778 ± 0.0019 Å
c	24.2183 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7153.7 ± 0.7 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	10
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.176
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation probe	x-ray
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
257545 (current)	2020-10-06	cif/ Updating files of 7705254, 7705255, 7705256, 7705257, 7705258 Original log message: Adding full bibliography for 7705254--7705258.cif.	7705254.cif
255615	2020-08-25	cif/ Adding structures of 7705254, 7705255, 7705256, 7705257, 7705258 via cif-deposit CGI script.	7705254.cif