Crystallography Open Database

Information card for entry 7031045

Preview

Coordinates	7031045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H118 Cl6 Cu4 F24 N16 O2 P4 S8
Calculated formula	C112 H104 Cu4 F24 N16 P4 S8
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	14.8533 ± 0.0002 Å
b	42.4657 ± 0.0004 Å
c	23.1133 ± 0.0003 Å
α	90°
β	95.2051 ± 0.0013°
γ	90°
Cell volume	14518.7 ± 0.3 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1365
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.2934
Weighted residual factors for all reflections included in the refinement	0.3243
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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