Crystallography Open Database

Information card for entry 4000213

Preview

Coordinates	4000213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cu I N2 O2
Calculated formula	C14 H14 Cu I N2 O2
Journal of publication	Chemistry of Materials
Year of publication	2002
a	12.374 ± 0.001 Å
b	4.251 ± 0.004 Å
c	15.081 ± 0.001 Å
α	90°
β	106.67 ± 0.01°
γ	90°
Cell volume	759.9 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0192
Weighted residual factors for significantly intense reflections	0.0387
Weighted residual factors for all reflections included in the refinement	0.0394
Goodness-of-fit parameter for all reflections included in the refinement	0.769
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.