Crystallography Open Database

Information card for entry 4506291

Preview

Coordinates	4506291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Ba N4 O10
Calculated formula	C12 H10 Ba N4 O10
Title of publication	Construction of Ba(II) Coordination Polymers Based on Imidazole-Based Dicarboxylate Ligands: Structural Diversity Tuned by Alcohol Solvents
Authors of publication	Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	7
Pages of publication	3575
a	15.42 ± 0.0002 Å
b	10.722 ± 0.0005 Å
c	9.137 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1510.65 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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