Crystallography Open Database

Information card for entry 4108933

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Coordinates	4108933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 N2 O14 Rh2
Calculated formula	C33 H23 N2 O14 Rh2
Title of publication	Structural and Magnetic Study of O2 Molecules Arranged along a Channel in a Flexible Single-Crystal Host Family
Authors of publication	Satoshi Takamizawa; Ei-ichi Nakata; Takamasa Akatsuka; Chihiro Kachi-Terajima; Ryosuke Miyake
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17882 - 17892
a	18.881 ± 0.006 Å
b	9.61 ± 0.003 Å
c	12.479 ± 0.004 Å
α	90°
β	129.747 ± 0.005°
γ	90°
Cell volume	1740.9 ± 1 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1402
Residual factor for significantly intense reflections	0.089
Weighted residual factors for significantly intense reflections	0.2274
Weighted residual factors for all reflections included in the refinement	0.2649
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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