Crystallography Open Database

Information card for entry 4509462

Preview

Coordinates	4509462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H51 Ba2 N5 O38 Sm2
Calculated formula	C35 H15 Ba2 N5 O38 Sm2
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	13.676 ± 0.014 Å
b	15.366 ± 0.015 Å
c	16.727 ± 0.016 Å
α	70.543 ± 0.019°
β	75.295 ± 0.017°
γ	74.895 ± 0.017°
Cell volume	3146 ± 5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.3128
Residual factor for significantly intense reflections	0.1082
Weighted residual factors for significantly intense reflections	0.2251
Weighted residual factors for all reflections included in the refinement	0.3482
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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