Crystallography Open Database

Information card for entry 7203452

7203451 << 7203452 >> 7203453

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Coordinates	7203452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H64 Cu3 N18 O2 S6
Calculated formula	C78 H64 Cu3 N18 O2 S6
Title of publication	Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions
Authors of publication	Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	7
Pages of publication	552
a	9.708 ± 0.003 Å
b	12.9 ± 0.004 Å
c	17.142 ± 0.006 Å
α	71.91 ± 0.005°
β	75.596 ± 0.005°
γ	71.955 ± 0.005°
Cell volume	1912.4 ± 1.1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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