Crystallography Open Database

Information card for entry 4321202

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Structure parameters

Formula	C60 H56 Cu F6 N4 O P
Calculated formula	C60 H56 Cu F6 N4 O 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	12.8486 ± 0.0004 Å
b	13.7341 ± 0.0004 Å
c	15.1678 ± 0.0003 Å
α	99.5819 ± 0.0014°
β	96.7263 ± 0.0013°
γ	97.3311 ± 0.0012°
Cell volume	2591.32 ± 0.12 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.19
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4321202.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4321202.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321202.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321202.cif
18552	2011-05-02	../uploads/cif-deposit/cod/cif Adding structures of 4321202 via cif-deposit CGI script.	4321202.cif