Crystallography Open Database

Information card for entry 3000647

Preview

No preview available: structure is on hold until 2027-07-19

Coordinates	Coordinates are not available: structure is on hold until 2027-07-19

Structure parameters

Formula	C29 H38 Cl4 Cu2 N6 O13
Title of publication	Title (type here to add)
Authors of publication	Mahdi Behzad; Kučeráková, Monika; Dušek, Michal
Journal of publication	To be published in Scientific report
a	10.2657 ± 0.0004 Å
b	10.9104 ± 0.0004 Å
c	17.6851 ± 0.0008 Å
α	75.793 ± 0.004°
β	80.094 ± 0.004°
γ	77.346 ± 0.003°
Cell volume	1858.86 ± 0.14 Å³
Cell temperature	95 ± 0.2 K
Ambient diffraction temperature	95 K
Number of distinct elements	6
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for significantly intense reflections	1.2829
Goodness-of-fit parameter for all reflections included in the refinement	1.1664
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

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