Crystallography Open Database

Information card for entry 7219780

7219779 << 7219780 >> 7219781

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Structure parameters

Formula	C48 H80 Cu2 N4 O18
Calculated formula	C48 H80 Cu2 N4 O18
Title of publication	Copper pyromellitates: a complex story
Authors of publication	Clegg, William; Holcroft, James M.; Martin, Nicola C.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	2857
a	11.3114 ± 0.001 Å
b	11.5464 ± 0.001 Å
c	11.7074 ± 0.0011 Å
α	80.13 ± 0.002°
β	66.441 ± 0.002°
γ	71.052 ± 0.002°
Cell volume	1324.1 ± 0.2 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1086
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1753
Weighted residual factors for all reflections included in the refinement	0.1927
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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