Crystallography Open Database

Information card for entry 4339149

Preview

Coordinates	4339149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 Ag F3 N12 O5 S
Calculated formula	C31 H30 Ag F3 N12 O5 S
Title of publication	Structural comparisons of silver(I) complexes of third-generation ligands built from tridentate (o-C(6)H(4)[CH(2)OCH(2)C(pz)(3)](2)) versus bidentate poly(1-pyrazolyl)methane units (o-C(6)H(4)[CH(2)OCH(2)CH(pz)(2)](2)) (pz = pyrazolyl ring).
Authors of publication	Reger, Daniel L.; Foley, Elizabeth A.; Semeniuc, Radu F.; Smith, Mark D.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11345 - 11355
a	8.2566 ± 0.0005 Å
b	10.396 ± 0.0006 Å
c	10.4792 ± 0.0006 Å
α	95.528 ± 0.001°
β	91.541 ± 0.001°
γ	106.084 ± 0.001°
Cell volume	858.91 ± 0.09 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1219
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
179494 (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 4/33/91.	4339149.cif
117161	2014-06-14	cif/ Adding structures of 4339147, 4339148, 4339149, 4339150 via cif-deposit CGI script.	4339149.cif