Crystallography Open Database

Information card for entry 4063414

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Structure parameters

Formula	C23 H30 F18 N7 P3
Calculated formula	C23 H30 F18 N7 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	11.1538 ± 0.0004 Å
b	13.561 ± 0.0004 Å
c	13.7856 ± 0.0004 Å
α	110.253 ± 0.002°
β	95.935 ± 0.003°
γ	114.094 ± 0.002°
Cell volume	1711.36 ± 0.11 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4063414.cif
178529	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.	4063414.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063414.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063414.cif
19015	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 4063414 via cif-deposit CGI script.	4063414.cif