Crystallography Open Database

Information card for entry 4116376

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Coordinates	4116376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C186 H234 Ga4 N30 O42
Calculated formula	C197 H163 Ga4 N20 O32
Title of publication	Dynamic Isomerization of a Supramolecular Tetrahedral M4L6 Cluster1
Authors of publication	Thomas Beissel; Ryan E. Powers; Tatjana N. Parac; Kenneth N. Raymond
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	4200 - 4206
a	24.0738 ± 0.0002 Å
b	24.0738 ± 0.0002 Å
c	68.5828 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	39747 ± 0.5 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1234
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for all reflections	0.2523
Weighted residual factors for significantly intense reflections	0.2205
Goodness-of-fit parameter for all reflections	1.033
Goodness-of-fit parameter for significantly intense reflections	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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