Crystallography Open Database

Information card for entry 4000112

Preview

Coordinates	4000112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H46 Cl2 Cu N6 O2
Calculated formula	C39 H42 Cl2 Cu N6 O2
Journal of publication	Chemistry of Materials
Year of publication	2002
a	17.1905 ± 0.0009 Å
b	16.242 ± 0.0009 Å
c	26.8593 ± 0.0018 Å
α	90°
β	91.593 ± 0.002°
γ	90°
Cell volume	7496.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1305
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for all reflections	0.2415
Weighted residual factors for significantly intense reflections	0.2028
Goodness-of-fit parameter for all reflections	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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