Crystallography Open Database

Information card for entry 7013746

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Coordinates	7013746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H50 F12 Fe N7 O6.5 P2
Calculated formula	C52 H50 F12 Fe N7 O6.5 P2
Title of publication	Metal-directed assembly of a conformationally restricted metallomacrocycle
Authors of publication	Chow, Hoi Shan; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	24
Pages of publication	4568
a	11.4241 ± 0.0011 Å
b	13.635 ± 0.002 Å
c	18.271 ± 0.002 Å
α	75.402 ± 0.009°
β	87.442 ± 0.009°
γ	78.327 ± 0.011°
Cell volume	2697.1 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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