Crystallography Open Database

Information card for entry 7210524

Preview

Coordinates	7210524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 Ca Hg N3 O7 S2
Calculated formula	C9 H9 Ca Hg N3 O7 S2
Title of publication	Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions
Authors of publication	Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	6
Pages of publication	2029
a	17.0665 ± 0.0019 Å
b	6.853 ± 0.001 Å
c	15.3784 ± 0.0014 Å
α	90°
β	116.652 ± 0.001°
γ	90°
Cell volume	1607.5 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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