Crystallography Open Database

Information card for entry 4322135

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Structure parameters

Formula	C54.63 H45.5 Cu F6 N4 O0.63 P
Calculated formula	C54.63 H45.5 Cu F6 N4 O0.63 P
Title of publication	Effects of Sterics and Electronic Delocalization on the Photophysical, Structural, and Electrochemical Properties of 2,9-Disubstituted 1,10-Phenanthroline Copper(I) Complexes
Authors of publication	Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	3414 - 3422
a	23.096 ± 0.006 Å
b	23.387 ± 0.006 Å
c	17.873 ± 0.007 Å
α	90°
β	100.08 ± 0.01°
γ	90°
Cell volume	9505 ± 5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
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	0.0946
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for all reflections	0.1753
Weighted residual factors for significantly intense reflections	0.1453
Goodness-of-fit parameter for all reflections	1.065
Goodness-of-fit parameter for significantly intense reflections	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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