Crystallography Open Database

Information card for entry 4002130

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Coordinates	4002130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Fe5 O18
Calculated formula	C16 H16 Fe5 O18
Title of publication	Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems
Authors of publication	Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	1
Pages of publication	133
a	9.4796 ± 0.0005 Å
b	9.4223 ± 0.0004 Å
c	12.4759 ± 0.0006 Å
α	90°
β	96.722 ± 0.003°
γ	90°
Cell volume	1106.68 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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