Crystallography Open Database

Information card for entry 4309263

Preview

Coordinates	4309263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71.5 H92 Cu8 Fe4 N26 O3.5 S8
Calculated formula	C71.5 H88 Cu8 Fe4 N26 O3.5 S8
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	17.146 ± 0.017 Å
b	33.15 ± 0.03 Å
c	17.399 ± 0.017 Å
α	90°
β	95.819 ± 0.017°
γ	90°
Cell volume	9838 ± 16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.151
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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