Crystallography Open Database

Information card for entry 1564004

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Coordinates	1564004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H66 Cl N13 O30 Pr2
Calculated formula	C50 H56 Cl N13 O30 Pr2
Title of publication	Homochiral lanthanide metal‒organic frameworks based on amino acid-functionalized terpyridyl ligand: synthesis, structure determination, and optical properties
Authors of publication	Dong, Ying-Ling; Sun, Hong-Zhi; Teng, Bao-Shan; Ma, Yuan-Jun; Wang, Xing; Wu, Ben-Lai
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	513
Pages of publication	119931
a	9.3878 ± 0.0001 Å
b	32.3383 ± 0.0003 Å
c	10.3975 ± 0.0001 Å
α	90°
β	100.802 ± 0.001°
γ	90°
Cell volume	3100.6 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.2558
Weighted residual factors for all reflections included in the refinement	0.2651
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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