Crystallography Open Database

Information card for entry 7208545

7208544 << 7208545 >> 7208546

Preview

Coordinates	7208545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H140 N12 O17 Zn2
Calculated formula	C130 H114 N12 O17 Zn2
Title of publication	A series of complexes constructed by different calix[4]arene derivatives
Authors of publication	Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	19
Pages of publication	6201
a	16.772 ± 0.004 Å
b	17.601 ± 0.003 Å
c	19.969 ± 0.005 Å
α	90°
β	91.723 ± 0.005°
γ	90°
Cell volume	5892 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1758
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1612
Weighted residual factors for all reflections included in the refinement	0.1846
Goodness-of-fit parameter for all reflections included in the refinement	0.812
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180416 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/85.	7208545.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208545.cif
66487	2012-09-11	cif/ Adding structures of 7208540, 7208541, 7208542, 7208543, 7208544, 7208545, 7208546, 7208547, 7208548, 7208549, 7208550, 7208551, 7208552 via cif-deposit CGI script.	7208545.cif