Crystallography Open Database

Information card for entry 4509458

Preview

Coordinates	4509458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H57 Ba2 N5 O41 Pr2
Calculated formula	C35 H19 Ba2 N5 O41 Pr2
Title of publication	Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks
Authors of publication	Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	9
Pages of publication	3948
a	13.3845 ± 0.0011 Å
b	14.7152 ± 0.0013 Å
c	16.7344 ± 0.0013 Å
α	70.215 ± 0.004°
β	75.21 ± 0.004°
γ	73.588 ± 0.004°
Cell volume	2928.1 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0511
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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