Crystallography Open Database

Information card for entry 4507579

Preview

Coordinates	4507579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 Cl N O5 Pr
Calculated formula	C17 H15 Cl N O5 Pr
Title of publication	Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties
Authors of publication	Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	4
Pages of publication	1570
a	7.3702 ± 0.0009 Å
b	25.843 ± 0.003 Å
c	9.4821 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1806 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179611 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/75.	4507579.cif
85580	2013-05-07	cif/ Adding structures of 4507577, 4507578, 4507579, 4507580, 4507581 via cif-deposit CGI script.	4507579.cif