Crystallography Open Database

Information card for entry 4306449

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Coordinates	4306449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H60 Cl4 Cu4 Fe6 N3 O18 Se2
Calculated formula	C42 H60 Cl4 Cu4 Fe6 N3 O18 Se2
Title of publication	Construction of Copper Halide-Triiron Selenide Carbonyl Complexes: Synthetic, Electrochemical, and Theoretical Studies
Authors of publication	Minghuey Shieh; Chia-Yeh Miu; Chang-Ju Lee; Wei-Cheng Chen; Yen-Yi Chu; Hui-Lung Chen
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11018 - 11031
a	13.1869 ± 0.0002 Å
b	16.98 ± 0.0003 Å
c	18.2612 ± 0.0003 Å
α	70.158 ± 0.001°
β	76.507 ± 0.001°
γ	68.605 ± 0.001°
Cell volume	3553.03 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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