Crystallography Open Database

Information card for entry 4321350

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Coordinates	4321350.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ferric TREN-Me-3,2-HOPOIAM
Chemical name	Fe[TREN-Me-3,2-HOPOIAM]
Formula	C29 H32 Fe N5 O6
Calculated formula	C35.12 H37.3 Fe N7 O10.53
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	18.1186 ± 0.0003 Å
b	17.5926 ± 0.0002 Å
c	25.0476 ± 0.0002 Å
α	90 ± 0.001°
β	98.142 ± 0.001°
γ	90 ± 0.001°
Cell volume	7903.53 ± 0.17 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
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	0.0698
Residual factor for significantly intense reflections	0.054
Weighted residual factors for all reflections	0.1644
Weighted residual factors for significantly intense reflections	0.1495
Goodness-of-fit parameter for all reflections	1.095
Goodness-of-fit parameter for significantly intense reflections	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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