Crystallography Open Database

Information card for entry 4322666

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Coordinates	4322666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H88 Cu8 N24
Calculated formula	C93 H80 Cu8 N24
Title of publication	Polynuclear Complexes of Copper(I) and the 2-(3(5)-Pyrazolyl)-6-methylpyridine Ligand: Structures and Reactivity toward Small Molecules
Authors of publication	Kuljeet Singh; Jeffrey R. Long; Pericles Stavropoulos
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	1073 - 1079
a	26.991 ± 0.0002 Å
b	17.9254 ± 0.0001 Å
c	19.5747 ± 0.0002 Å
α	90°
β	108.732 ± 0.001°
γ	90°
Cell volume	8969.06 ± 0.13 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0715
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for all reflections	0.1121
Weighted residual factors for significantly intense reflections	0.0986
Goodness-of-fit parameter for all reflections	1.201
Goodness-of-fit parameter for significantly intense reflections	1.216
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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