Crystallography Open Database

Information card for entry 7031042

Preview

Coordinates	7031042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 N4.67 S2
Calculated formula	C28 H26 N4 S2
Title of publication	Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?
Authors of publication	Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	28
Pages of publication	11027 - 11038
a	16.67987 ± 0.00011 Å
b	16.67987 ± 0.00011 Å
c	15.01274 ± 0.00017 Å
α	90°
β	90°
γ	90°
Cell volume	4176.82 ± 0.06 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	4
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.2111
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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