Crystallography Open Database

Information card for entry 4326492

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Coordinates	4326492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 O4 Zn
Calculated formula	C9 H6 O4 Zn
Title of publication	Structure and Photoluminescence Tuning Features of Mn2± and Ln3±Activated Zn-Based Heterometal-Organic Frameworks (MOFs) with a Single 5-Methylisophthalic Acid Ligand
Authors of publication	Qi-Bing Bo; Hong-Yan Wang; Da-Qi Wang; Zhen-Wei Zhang; Jin-Ling Miao; Guo-Xin Sun
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10163 - 10177
a	4.5796 ± 0.0002 Å
b	12.1184 ± 0.0005 Å
c	15.2298 ± 0.0006 Å
α	90°
β	94.195 ± 0.004°
γ	90°
Cell volume	842.95 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0348
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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