Crystallography Open Database

Information card for entry 7012140

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Coordinates	7012140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 Ba9 Cl4 O44
Calculated formula	C28 H42 Ba9 Cl4 O44
Title of publication	Novel three-dimensional framework based on Ba9 cores involving unprecedented μ5-η3:η3-acetate anions
Authors of publication	Guo Dong; Zhang Bing-guang; Duan Chun-ying; Pang Ke-liang; Meng Qing-jin
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	20
Pages of publication	3783 - 3784
a	21.2612 ± 0.0018 Å
b	12.6683 ± 0.0011 Å
c	15.154 ± 0.0013 Å
α	90°
β	133.276 ± 0.001°
γ	90°
Cell volume	2971.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0329
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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