Crystallography Open Database

Information card for entry 7000617

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Coordinates	7000617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H195 Fe12 K6 Li3 N12 O122
Calculated formula	C76 H84 Fe12 K6 Li3 N12 O112
Title of publication	cis-Tach based pentadecadentate ligands as building blocks in the synthesis of FeIII and PdII coordination clusters
Authors of publication	Newton, Graham N.; Cooper, Geoffrey J. T.; Schuch, Dominik; Shiga, Takuya; Khanra, Sumit; Long, De-Liang; Oshio, Hiroki; Cronin, Leroy
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	9
Pages of publication	1549 - 1553
a	23.7886 ± 0.001 Å
b	33.5635 ± 0.0014 Å
c	20.5333 ± 0.001 Å
α	90°
β	92.438 ± 0.003°
γ	90°
Cell volume	16379.5 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1059
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.2272
Weighted residual factors for all reflections included in the refinement	0.2481
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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