Crystallography Open Database

Information card for entry 8105522

Preview

Coordinates	8105522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H34 N4 O18 Sm2
Calculated formula	C52 H34 N4 O18 Sm2
Title of publication	Crystal structure of poly[aqua-(μ3-4-(pyridin-4-yl)isophthalato-κ4 O,O′:O′′:O′′′)-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2 O:O′)samarium(III)], C26H18N2O9Sm
Authors of publication	Song, Wei; Xu, Xue-Li; Yang, Yan-Ju; Li, Shi-Hui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	5 - 7
a	8.9665 ± 0.0003 Å
b	9.3617 ± 0.0003 Å
c	28.3925 ± 0.0009 Å
α	90°
β	95.134 ± 0.003°
γ	90°
Cell volume	2373.75 ± 0.13 Å³
Cell temperature	287.51 ± 0.1 K
Ambient diffraction temperature	287.51 ± 0.1 K
Number of distinct elements	5
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	0.0376
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation probe	x-ray
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
276274 (current)	2022-06-27	cif/ Adding structures of 8105522 via cif-deposit CGI script.	8105522.cif