Crystallography Open Database

Information card for entry 7208542

7208541 << 7208542 >> 7208543

Preview

Coordinates	7208542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H70 N6 Ni O8
Calculated formula	C92 H70 N6 Ni O8
SMILES	[Ni]123([n]4cccc5c4c4c(cc5)ccc[n]14)([n]1c4c5c(ccc[n]25)ccc4ccc1)[n]1cccc2ccc4ccc[n]3c4c12.C1c2c(c(ccc2)Cc2c(c(ccc2)Cc2c(c(ccc2)Cc2c(c1ccc2)O)O)[O-])O.C1c2cccc(c2O)Cc2c(c(ccc2)Cc2c(c(ccc2)Cc2c(c1ccc2)O)[O-])O
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	15.277 ± 0.003 Å
b	22.74 ± 0.003 Å
c	21.277 ± 0.003 Å
α	90°
β	93.441 ± 0.014°
γ	90°
Cell volume	7378 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2101
Residual factor for significantly intense reflections	0.0867
Weighted residual factors for significantly intense reflections	0.2079
Weighted residual factors for all reflections included in the refinement	0.2524
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7208542.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208542.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.	7208542.cif