Crystallography Open Database

Information card for entry 4309261

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Coordinates	4309261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 Co2 Fe2 N13 O0.5 S4
Calculated formula	C34 H40 Co2 Fe2 N13 O0.5 S4
Title of publication	Heterometallic Compounds Assembled from Ferrocene-Containing Bisthiosemicarbazone Clips
Authors of publication	Ming-xue Li; Yan Bai; Bing-guang Zhang; Chun-ying Duan; Jian Xu; Qing-jin Meng
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5459 - 5466
a	29.031 ± 0.009 Å
b	9.611 ± 0.003 Å
c	21.122 ± 0.007 Å
α	90°
β	131.954 ± 0.006°
γ	90°
Cell volume	4383 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2096
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.2082
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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