Crystallography Open Database

Information card for entry 7225101

Preview

Coordinates	7225101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H79 N5 Nd6 O44 S9
Calculated formula	C79 H79 N5 Nd6 O44 S9
Title of publication	Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties
Authors of publication	Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	20
Pages of publication	3617
a	50.824 ± 0.0014 Å
b	11.369 ± 0.0003 Å
c	17.604 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	10171.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
185240 (current)	2016-08-07	cif/ Updating files of 7225101, 7225102, 7225103, 7225104, 7225105, 7225106, 7225107, 7225108, 7225109 Original log message: Adding full bibliography for 7225101--7225109.cif.	7225101.cif
182579	2016-05-05	cif/ Adding structures of 7225101, 7225102, 7225103, 7225104, 7225105, 7225106, 7225107, 7225108, 7225109 via cif-deposit CGI script.	7225101.cif