Crystallography Open Database

Information card for entry 7027162

Preview

Coordinates	7027162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H47 Cl3 Cu2 N8 O14
Calculated formula	C48 H47 Cl3 Cu2 N8 O14
Title of publication	The influence of the linkage mode between bipyridine units in oligobipyridine ligands on the formation of copper-(I) and -(II) helicates
Authors of publication	Shu, Mou-Hai; Sun, Wei-Yin; Duan, Chun-Ying; Fu, You-Jun; Zhang, Wen-Jian; Tang, Wen-Xia
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	5
Pages of publication	729
a	11.216 ± 0.003 Å
b	21.616 ± 0.004 Å
c	20.795 ± 0.005 Å
α	90°
β	95.91 ± 0.02°
γ	90°
Cell volume	5015 ± 2 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	0.1187
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for all reflections	0.1522
Weighted residual factors for significantly intense reflections	0.1319
Goodness-of-fit parameter for all reflections	1.064
Goodness-of-fit parameter for significantly intense reflections	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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