Crystallography Open Database

Information card for entry 4303193

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Coordinates	4303193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H38 Fe N13 O7
Calculated formula	C21 H34 Fe N13 O6.99999
Title of publication	Complementary Dynamic Assembly around an Iron(III) Cation
Authors of publication	Galina Melman; Pavan Vimal; Artem Melman
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8662 - 8664
a	9.6483 ± 0.0008 Å
b	11.8919 ± 0.001 Å
c	13.3296 ± 0.0011 Å
α	95.851 ± 0.001°
β	96 ± 0.001°
γ	106.724 ± 0.001°
Cell volume	1442.6 ± 0.2 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.162
Weighted residual factors for all reflections included in the refinement	0.1685
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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