Crystallography Open Database

Information card for entry 7104613

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Coordinates	7104613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H83 N5 O18 S6 Zn4
Calculated formula	C42 H12 O13 Zn4
Title of publication	Sulfur-tagged metal-organic frameworks and their post-synthetic oxidation.
Authors of publication	Burrows, Andrew D; Frost, Christopher G; Mahon, Mary F; Richardson, Christopher
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	28
Pages of publication	4218 - 4220
a	23.8212 ± 0.0003 Å
b	23.8212 ± 0.0003 Å
c	30.2938 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	14887.1 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.1577
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1686
Weighted residual factors for all reflections included in the refinement	0.1994
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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