Crystallography Open Database

Information card for entry 7208709

7208708 << 7208709 >> 7208710

Preview

Coordinates	7208709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23.5 Cr0.5 Fe N10 O6.5
Calculated formula	C21 H22.5 Cr0.5 Fe N10 O6.495
Title of publication	Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)
Authors of publication	Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	6377
a	12.6333 ± 0.0005 Å
b	12.6333 ± 0.0005 Å
c	9.258 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	1279.62 ± 0.09 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.1905
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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