Crystallography Open Database

Information card for entry 7224468

Preview

Coordinates	7224468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C209 H309 Cl2 N11 Nd10 O86 P4 S16
Calculated formula	C190 H220 Cl2 N8 Nd10 O76 P4 S16
Title of publication	Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands
Authors of publication	Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	26
Pages of publication	4921
a	22.595 ± 0.0003 Å
b	25.026 ± 0.0003 Å
c	25.1004 ± 0.0003 Å
α	90°
β	109.726 ± 0.001°
γ	90°
Cell volume	13360.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0455
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
185194 (current)	2016-08-07	cif/ Updating files of 7224468, 7224469, 7224470 Original log message: Adding full bibliography for 7224468--7224470.cif.	7224468.cif
177163	2016-03-03	cif/ Adding structures of 7224468, 7224469, 7224470 via cif-deposit CGI script.	7224468.cif