Crystallography Open Database

Information card for entry 7212065

7212064 << 7212065 >> 7212066

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Coordinates	7212065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H4 Ba O7
Calculated formula	C7 H4 Ba O7
Title of publication	Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid
Authors of publication	Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	6
Pages of publication	1809
a	19.441 ± 0.002 Å
b	10.0363 ± 0.0012 Å
c	4.319 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	842.7 ± 0.16 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0406
Weighted residual factors for all reflections included in the refinement	0.0412
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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