Crystallography Open Database

Information card for entry 4073785

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Coordinates	4073785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H46 Cl2 Fe2 O12 Te2
Calculated formula	C53 H44 Cl2 Fe2 O12 Te2
Title of publication	1,1‘-Ferrocenedicarboxylate-Bridged Redox-Active Organotin and -tellurium-Containing 16-Membered Macrocycles: Synthesis, Structure, and Electrochemistry
Authors of publication	Chandrasekhar, Vadapalli; Thirumoorthi, Ramalingam
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	22
Pages of publication	5415
a	15.241 ± 0.0007 Å
b	21.6111 ± 0.0011 Å
c	15.7105 ± 0.0008 Å
α	90°
β	103.56 ± 0.001°
γ	90°
Cell volume	5030.4 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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