Crystallography Open Database

Information card for entry 4116799

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Structure parameters

Formula	C48 H86 O8 P2 Rh2
Calculated formula	C48 H86 O8 P2 Rh2
SMILES	C1(CCCCC1)[P]([Rh]1234[O]=C(CC)O[Rh]4([O]=C(CC)O1)(OC(CC)=[O]3)([O]=C(CC)O2)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
Title of publication	Geometrical Difference and Electron Configuration of Lantern-Type Rh24+ and Rh25+ Complexes: X-ray Structural and DFT Study
Authors of publication	Takashi Kawamura; Minobu Maeda; Makoto Miyamoto; Hiroshi Usami; Kaori Imaeda; Masahiro Ebihara
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	8136 - 8142
a	14.879 ± 0.001 Å
b	9.6043 ± 0.0009 Å
c	19.2032 ± 0.0009 Å
α	90°
β	110.526 ± 0.004°
γ	90°
Cell volume	2570 ± 0.3 Å³
Cell temperature	126 K
Ambient diffraction temperature	126 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0292
Goodness-of-fit parameter for significantly intense reflections	1.456
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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