Crystallography Open Database

Information card for entry 7208708

7208707 << 7208708 >> 7208709

Preview

Coordinates	7208708.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	12.5886 ± 0.0006 Å
b	12.5886 ± 0.0006 Å
c	9.218 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	1265.09 ± 0.1 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93.1 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	0.0616
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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