Crystallography Open Database

Information card for entry 7040296

Preview

Coordinates	7040296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H51 F18 Fe2 N21 P3
Calculated formula	C46 H51 F18 Fe2 N21 P3
Title of publication	Synthesis, structure, and spin crossover above room temperature of a mononuclear and related dinuclear double helicate iron(ii) complexes.
Authors of publication	Hagiwara, Hiroaki; Tanaka, Tomoko; Hora, Shiori
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	43
Pages of publication	17132 - 17140
a	30.932 ± 0.008 Å
b	20.02 ± 0.005 Å
c	11.614 ± 0.003 Å
α	90°
β	107.907 ± 0.003°
γ	90°
Cell volume	6844 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1358
Residual factor for significantly intense reflections	0.0956
Weighted residual factors for significantly intense reflections	0.2032
Weighted residual factors for all reflections included in the refinement	0.2215
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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