Crystallography Open Database

Information card for entry 7706384

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Coordinates	7706384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 K4 N6 O3 Ru
Calculated formula	C6 H6 K4 N6 O3 Ru
Title of publication	Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.
Authors of publication	Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	6
Pages of publication	1990 - 1994
a	9.4888 ± 0.0003 Å
b	17.0598 ± 0.0006 Å
c	9.4998 ± 0.0003 Å
α	90°
β	90.176 ± 0.001°
γ	90°
Cell volume	1537.79 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0182
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.0425
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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