Crystallography Open Database

Information card for entry 4108937

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Coordinates	4108937.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	18.778 ± 0.008 Å
b	9.615 ± 0.005 Å
c	12.478 ± 0.006 Å
α	90°
β	130.316 ± 0.007°
γ	90°
Cell volume	1717.8 ± 1.4 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 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	0.1341
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.2104
Weighted residual factors for all reflections included in the refinement	0.2435
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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