Crystallography Open Database

Information card for entry 4321310

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Coordinates	4321310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H120 N4 O15 Re2
Calculated formula	C112 H120 N4 O15 Re2
Title of publication	Calix[4]arene Rhenium(V) Complexes as Potential Radiopharmaceuticals
Authors of publication	Kjeld J. C. van Bommel; Willem Verboom; Ron Hulst; Huub Kooijman; Anthony L. Spek; David N. Reinhoudt
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4099 - 4106
a	38.963 ± 0.005 Å
b	23.14 ± 0.006 Å
c	27.382 ± 0.006 Å
α	90°
β	128.456 ± 0.01°
γ	90°
Cell volume	19333 ± 8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0786
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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