Crystallography Open Database

Information card for entry 4341447

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Structure parameters

Formula	C46 H40 Ag F3 N4 O3 P2 S
Calculated formula	C46 H40 Ag F3 N4 O3 P2 S
Title of publication	Isomer Dependence in the Assembly and Lability of Silver(I) Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-, and 4-[Di(1H-pyrazolyl)methyl]phenyl(di-p-tolyl)phosphine
Authors of publication	Gardinier, James R.; Hewage, Jeewantha S.; Lindeman, Sergey V.
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141106150122003
a	9.34515 ± 0.00015 Å
b	13.8176 ± 0.0003 Å
c	33.1325 ± 0.0006 Å
α	90°
β	90.3273 ± 0.0015°
γ	90°
Cell volume	4278.25 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4341447.cif
179517	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341447.cif
126610	2014-11-07	cif/ Adding structures of 4341444, 4341445, 4341446, 4341447, 4341448 via cif-deposit CGI script.	4341447.cif