Crystallography Open Database

Information card for entry 7210869

Preview

Coordinates	7210869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H80 Cl16 Cu5 N20 O4
Calculated formula	C88 H80 Cl16 Cu5 N20 O4
Title of publication	Formation of 0D M5L2 helicate cage and 1D loop-and-chain complexes: stepwise assembly and catalytic activity
Authors of publication	Zhang, Lu-Yin; Liu, Yu; Li, Kang; Pan, Mei; Yan, Cheng; Wei, Shi-Chao; Chen, Yong-Xin; Su, Cheng-Yong
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	35
Pages of publication	7106
a	12.6625 ± 0.0007 Å
b	12.7389 ± 0.0007 Å
c	15.6693 ± 0.0007 Å
α	91.249 ± 0.004°
β	102.326 ± 0.004°
γ	108.969 ± 0.005°
Cell volume	2323.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.073
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1822
Weighted residual factors for all reflections included in the refinement	0.1913
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180439 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/08.	7210869.cif
90138	2013-11-17	cif/ Adding structures of 7210868, 7210869 via cif-deposit CGI script.	7210869.cif