Crystallography Open Database

Information card for entry 4339701

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Coordinates	4339701.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[H3B(5-(CF3)Pz)]Ag[P(C6H5)3]2
Formula	C40 H35 Ag B F3 N2 P2
Calculated formula	C40 H35 Ag B F3 N2 P2
SMILES	[Ag]1([n]2n([BH2][H]1)c(cc2)C(F)(F)F)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Small scorpionate ligands: silver(I)-organophosphane complexes of 5-CF(3)-substituted scorpionate ligand combining a B-H...Ag coordination motif.
Authors of publication	Dias, H. V. Rasika; Alidori, Simone; Lobbia, Giancarlo Gioia; Papini, Grazia; Pellei, Maura; Santini, Carlo
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9708 - 9714
a	13.0475 ± 0.0008 Å
b	14.888 ± 0.0009 Å
c	20.4489 ± 0.0013 Å
α	106.897 ± 0.001°
β	104.392 ± 0.001°
γ	95.097 ± 0.001°
Cell volume	3625.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1504
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339701.cif
117487	2014-06-15	cif/ Adding structures of 4339701, 4339702 via cif-deposit CGI script.	4339701.cif