Crystallography Open Database

Information card for entry 7009678

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Coordinates	7009678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H58 Cl2 Mn N12 O10
Calculated formula	C60 H54 Cl2 Mn N12 O10
Title of publication	Synthesis and crystal structure of an infinite one-dimensional chain containing a poly-metallocage of MnII with 4,4'-bis(imidazol-1-ylmethyl)biphenyl
Authors of publication	Fei, Bao-Li; Sun, Wei-Yin; Zhang, Yan-An; Yu, Kai-Bei; Tang, Wen-Xia
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	14
Pages of publication	2345
a	33.921 ± 0.011 Å
b	10.103 ± 0.002 Å
c	17.915 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6140 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1827
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	0.722
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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