Crystallography Open Database

Information card for entry 7104614

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Coordinates	7104614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H64 N4 O23 S3 Zn4
Calculated formula	C52 H35 N O21 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	25.167 ± 0.0004 Å
b	23.2 ± 0.0003 Å
c	17.102 ± 0.0003 Å
α	90°
β	93.561 ± 0.001°
γ	90°
Cell volume	9966.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1159
Residual factor for significantly intense reflections	0.0884
Weighted residual factors for significantly intense reflections	0.2743
Weighted residual factors for all reflections included in the refinement	0.2914
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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