Crystallography Open Database

Information card for entry 4321351

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Coordinates	4321351.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	K[Fe-TREN-Me-3,2-HOPOTAM]
Chemical name	K[Fe-TREN-Me-3,2-HOPOTAM]
Formula	C29 H31 Fe K N7 O10
Calculated formula	C32 H41.6 Fe K N8 O14.8
Title of publication	Mixed Hydroxypyridinonate Ligands as Iron Chelators1
Authors of publication	Seth M. Cohen; Brendon O'Sulliva; Kenneth N. Raymond
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4339 - 4346
a	31.7556 ± 0.0012 Å
b	14.0087 ± 0.0006 Å
c	22.1557 ± 0.0009 Å
α	90°
β	127.919 ± 0.001°
γ	90°
Cell volume	7775.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1068
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for all reflections	0.1473
Weighted residual factors for significantly intense reflections	0.1259
Goodness-of-fit parameter for all reflections	1.203
Goodness-of-fit parameter for significantly intense reflections	1.224
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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