Crystallography Open Database

Information card for entry 4329812

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Coordinates	4329812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Cl5 Cu N12 O9 Se4
Calculated formula	C21 H15 Cl5 Cu N12 O9 Se4
Title of publication	Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions
Authors of publication	Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8128 - 8140
a	17.2767 ± 0.0007 Å
b	11.5563 ± 0.0003 Å
c	18.8398 ± 0.0006 Å
α	90°
β	114.083 ± 0.004°
γ	90°
Cell volume	3434 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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