Crystallography Open Database

Information card for entry 7104612

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Coordinates	7104612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H78 N6 O19 S3 Zn4
Calculated formula	C51 H43 N O15 S3 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	25.0111 ± 0.0009 Å
b	22.9843 ± 0.0009 Å
c	17.1959 ± 0.0003 Å
α	90°
β	96.404 ± 0.004°
γ	90°
Cell volume	9823.6 ± 0.5 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.1006
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.219
Weighted residual factors for all reflections included in the refinement	0.2346
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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