Crystallography Open Database

Information card for entry 7704177

Preview

Coordinates	7704177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H94 Br2 Cl2 Co2 F0 N10 O12 P0
Calculated formula	C82 H94 Br2 Cl2 Co2 N10 O12
Title of publication	Effects of ligand substituents on the single-molecule magnetic behavior of quinonoid-bridged dicobalt compounds.
Authors of publication	Zhu, Xiao-Quan; Cao, Wen-Hai; Su, Shao-Dong; Wu, Xin-Tao; Sheng, Tian-Lu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	20
Pages of publication	6738 - 6743
a	16.539 ± 0.003 Å
b	16.867 ± 0.005 Å
c	17.917 ± 0.004 Å
α	75.33 ± 0.02°
β	65.839 ± 0.018°
γ	71.128 ± 0.019°
Cell volume	4272.7 ± 1.9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1053
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1859
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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