Crystallography Open Database

Information card for entry 4316344

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Coordinates	4316344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H58 Co4 N18 O7 S4
Calculated formula	C43 H46 Co4 N18 O7 S4
Title of publication	Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand
Authors of publication	Yanfeng Bi; Wuping Liao; Guancheng Xu; Ruiping Deng; Meiyan Wang; Zhijian Wu; Song Gao; Hongjie Zhang
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	7735 - 7740
a	33.7351 ± 0.0011 Å
b	19.1376 ± 0.0007 Å
c	18.1344 ± 0.0006 Å
α	90°
β	109.388 ± 0.001°
γ	90°
Cell volume	11043.8 ± 0.7 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	6
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	0.0873
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.2201
Weighted residual factors for all reflections included in the refinement	0.2354
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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