Crystallography Open Database

Information card for entry 4063413

Preview

Coordinates	4063413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 Cu3 F18 N12 P3
Calculated formula	C42 H48 Cu3 F18 N12 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	19.72 ± 0.003 Å
b	19.109 ± 0.003 Å
c	15.484 ± 0.002 Å
α	90°
β	109.025 ± 0.002°
γ	90°
Cell volume	5516.1 ± 1.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
178529 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/34.	4063413.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063413.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063413.cif
19014	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 4063413 via cif-deposit CGI script.	4063413.cif