Crystallography Open Database

Information card for entry 7051777

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Coordinates	7051777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H39 Br N5 O6.5
Calculated formula	C21 H34 Br N5 O6.5
Title of publication	Unsymmetrically substituted side-bridged cyclam derivatives and their Cu(ii) and Zn(ii) complexes
Authors of publication	Plutnar, Jan; Havlíčková, Jana; Kotek, Jan; Hermann, Petr; Lukeš, Ivan
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	3
Pages of publication	496
a	19.4788 ± 0.0004 Å
b	19.7272 ± 0.0004 Å
c	13.7214 ± 0.0003 Å
α	90°
β	97.716 ± 0.0011°
γ	90°
Cell volume	5224.88 ± 0.19 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0736
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.168
Weighted residual factors for all reflections included in the refinement	0.1828
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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