Crystallography Open Database

Information card for entry 4000394

Preview

Coordinates	4000394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.6 H23.2 F4.8 N2.4 O4 Si0.4 Zn0.8
Calculated formula	C27 H20 F4.8 N2.4 O4 Si0.4 Zn0.8
Journal of publication	Chemistry of Materials
Year of publication	2004
a	12.702 ± 0.003 Å
b	14.933 ± 0.004 Å
c	20.219 ± 0.004 Å
α	102.594 ± 0.005°
β	105.874 ± 0.005°
γ	103.861 ± 0.005°
Cell volume	3412.2 ± 1.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2176
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	0.75
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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