Crystallography Open Database

Information card for entry 8105540

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Coordinates	8105540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H11 F8 N O12 Sm2
Calculated formula	C21 H6 F8 N O12 Sm2
Title of publication	Crystal structure of poly[diaqua-di-μ2-hydroxido-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ4 O:O′:O′′:O′′′)-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ5 O,O:O′:O′′:O′′′)disamarium(III)] – bipyridine (2/1), C21H11NF16O12Sm2
Authors of publication	Feng, Xun; Wang, Rui; Wang, Xin Yi; Zhang, Ying Ying; Jia, Xi Xi
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	55 - 57
a	7.7872 ± 0.0005 Å
b	9.9149 ± 0.0006 Å
c	16.9804 ± 0.001 Å
α	79.497 ± 0.001°
β	76.862 ± 0.001°
γ	78.148 ± 0.001°
Cell volume	1236.8 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
276308 (current)	2022-06-28	cif/ Adding structures of 8105540 via cif-deposit CGI script.	8105540.cif