Crystallography Open Database

Information card for entry 4063416

Preview

Coordinates	4063416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52.5 Ag3 F18 N12 O0.75 P3
Calculated formula	C44 H53 Ag3 F18 N12 O0.75 P3
Title of publication	Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions
Authors of publication	Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	2
Pages of publication	334 - 347
a	34.493 ± 0.002 Å
b	19.035 ± 0.0013 Å
c	21.5033 ± 0.0015 Å
α	90°
β	100.216 ± 0.001°
γ	90°
Cell volume	13894.7 ± 1.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1812
Weighted residual factors for all reflections included in the refinement	0.2089
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4063416.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063416.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063416.cif
19017	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 4063416 via cif-deposit CGI script.	4063416.cif