Crystallography Open Database

Information card for entry 4309819

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Coordinates	4309819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H14 Cl2 Cu2 N5 S
Calculated formula	C21 H14 Cl2 Cu2 N5 S
Title of publication	Ligand-Controlled Mixed-Valence Copper Rectangular Grid-Type Coordination Polymers Based on Pyridylterpyridine
Authors of publication	Lei Hou; Dan Li; Wen-Juan Shi; Ye-Gao Yin; Seik Weng Ng
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7825 - 7832
a	11.2411 ± 0.0008 Å
b	14.4222 ± 0.001 Å
c	13.7402 ± 0.001 Å
α	90°
β	110.559 ± 0.001°
γ	90°
Cell volume	2085.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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