Crystallography Open Database

Information card for entry 4321201

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Structure parameters

Formula	C52 H40 Cu F6 N4 P
Calculated formula	C52 H40 Cu F6 N4 P
Title of publication	Structural and Photophysical Studies of Cu(NN)2+Systems in the Solid State. Emission at Last from Complexes with Simple 1,10-Phenanthroline Ligands
Authors of publication	Corey T. Cunningham; Jeffrey J. Moore; Kurstan L. H. Cunningham; Phillip E. Fanwick; David R. McMillin
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	3638 - 3644
a	16.0722 ± 0.0013 Å
b	8.11 ± 0.0007 Å
c	16.8937 ± 0.001 Å
α	90°
β	93.947 ± 0.005°
γ	90°
Cell volume	2196.8 ± 0.3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4321201.cif
179315	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/12.	4321201.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321201.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321201.cif
18551	2011-05-02	../uploads/cif-deposit/cod/cif Adding structures of 4321201 via cif-deposit CGI script.	4321201.cif