Crystallography Open Database

Information card for entry 7210868

Preview

Coordinates	7210868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C217.5 H259.5 Cl20 Cu10 N56.5 O30.5
Calculated formula	C217.5 H259.5 Cl20 Cu10 N56.5 O30.5
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	20.0954 ± 0.0003 Å
b	29.8975 ± 0.0005 Å
c	24.9908 ± 0.0004 Å
α	90°
β	110.867 ± 0.002°
γ	90°
Cell volume	14029.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1983
Weighted residual factors for all reflections included in the refinement	0.2182
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7210868.cif
90138	2013-11-17	cif/ Adding structures of 7210868, 7210869 via cif-deposit CGI script.	7210868.cif