Crystallography Open Database

Information card for entry 7224631

Preview

Coordinates	7224631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 Cl2 O23 S4
Calculated formula	C29 H32 Cl2 O23 S4
Title of publication	Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes
Authors of publication	Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	26
Pages of publication	4977
a	11.9482 ± 0.001 Å
b	12.3059 ± 0.0008 Å
c	15.2457 ± 0.0012 Å
α	68.694 ± 0.005°
β	77.073 ± 0.006°
γ	89.16 ± 0.006°
Cell volume	2030 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1462
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1521
Weighted residual factors for all reflections included in the refinement	0.176
Goodness-of-fit parameter for all reflections included in the refinement	0.828
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185201 (current)	2016-08-07	cif/ Updating files of 7224629, 7224630, 7224631 Original log message: Adding full bibliography for 7224629--7224631.cif.	7224631.cif
178292	2016-03-18	cif/ Adding structures of 7224629, 7224630, 7224631 via cif-deposit CGI script.	7224631.cif