Crystallography Open Database

Information card for entry 7705255

Preview

Coordinates	7705255.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Compound_8
Formula	C47 H56 B Cl3 F6 N8 O2 P2 Pt W
Calculated formula	C47 H56 B Cl3 F6 N8 O2 P2 Pt W
SMILES	[Pt]1(C([W]231([n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]2c(C)cc1C)(C#[O])C#[O])=P(c1ccccc1)(C)C)(C#[N]c1c(C)cc(cc1C)C)C#[N]c1c(cc(cc1C)C)C.[P](F)(F)(F)(F)(F)[F-].ClC(Cl)Cl
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	16.5808 ± 0.0004 Å
b	14.449 ± 0.0004 Å
c	22.7627 ± 0.0006 Å
α	90°
β	93.001 ± 0.002°
γ	90°
Cell volume	5445.9 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	10
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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.	7705255.cif
255615	2020-08-25	cif/ Adding structures of 7705254, 7705255, 7705256, 7705257, 7705258 via cif-deposit CGI script.	7705255.cif