Crystallography Open Database

Information card for entry 7030874

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Coordinates	7030874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 Ba N4 O8.5 S
Calculated formula	C16 H13 Ba N4 O8.5 S
Title of publication	Construction of acylhydrazidate-extended metal-organic frameworks.
Authors of publication	Wang, Yan-Ning; Yang, Qing-Feng; Li, Guang-Hua; Zhang, Ping; Yu, Jie-Hui; Xu, Ji-Qing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	30
Pages of publication	11646 - 11657
a	19.372 ± 0.003 Å
b	23.436 ± 0.003 Å
c	4.7214 ± 0.0005 Å
α	90°
β	94.727 ± 0.011°
γ	90°
Cell volume	2136.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1877
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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