Crystallography Open Database

Information card for entry 4082155

Preview

Coordinates	4082155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 As F10 N P Pt
Calculated formula	C31 H27 As F10 N P Pt
SMILES	[Pt]123([n]4ccccc4)(c4c([As](c5ccccc5)c5ccccc5)c(F)c(F)c(F)c4F)[CH]4CC[CH]1=[CH]2CC[CH]3=4.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?
Authors of publication	Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7451
a	16.6571 ± 0.0019 Å
b	11.0517 ± 0.0012 Å
c	17.2586 ± 0.0019 Å
α	90°
β	108.073 ± 0.002°
γ	90°
Cell volume	3020.4 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
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	0.0505
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
178710 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/21.	4082155.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4082155.cif
92202	2014-01-12	cif/ Adding structures of 4082155, 4082156, 4082157, 4082158, 4082159, 4082160, 4082161 via cif-deposit CGI script.	4082155.cif