Crystallography Open Database

Information card for entry 7007109

Preview

Coordinates	7007109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124.75 H102.75 B4 F16 Fe2 N17
Calculated formula	C124.75 H102.75 B4 F16 Fe2 N17
Title of publication	Aggregation of imine-based metallo-supramolecular architectures through pi-pi interactions.
Authors of publication	Pascu, Mirela; Clarkson, Guy J.; Kariuki, Benson M.; Hannon, Michael J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	22
Pages of publication	2635 - 2642
a	13.4072 ± 0.0012 Å
b	20.3149 ± 0.0017 Å
c	21.2381 ± 0.0019 Å
α	76.186 ± 0.001°
β	87.941 ± 0.001°
γ	87.521 ± 0.001°
Cell volume	5610 ± 0.9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1413
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.1846
Weighted residual factors for all reflections included in the refinement	0.2191
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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