Crystallography Open Database

Information card for entry 4000113

Preview

Coordinates	4000113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H31 Cl2 Cu N4 O1.5
Calculated formula	C26 H28 Cl2 Cu N4 O1.5
Journal of publication	Chemistry of Materials
Year of publication	2002
a	16.3139 ± 0.0012 Å
b	18.2111 ± 0.0013 Å
c	36.247 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	10768.8 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for all reflections	0.2533
Weighted residual factors for significantly intense reflections	0.2266
Goodness-of-fit parameter for all reflections	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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