Crystallography Open Database

Information card for entry 7014089

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Coordinates	7014089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 Fe2 N4 O4 S4
Calculated formula	C32 H36 Fe2 N4 O4 S4
Title of publication	Synthesis, structure and electrochemistry of ferrocene-peptide macrocycles.
Authors of publication	Chowdhury, Somenath; Schatte, Gabriele; Kraatz, Heinz-Bernhard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	11
Pages of publication	1726 - 1730
a	25.14 ± 0.001 Å
b	10.7111 ± 0.0004 Å
c	24.272 ± 0.001 Å
α	90°
β	93.0975 ± 0.0007°
γ	90°
Cell volume	6526.3 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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