Crystallography Open Database

Information card for entry 4302756

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Coordinates	4302756.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	manganese tetraimidazole 1,5-napthalenedisulfonate
Formula	C22 H22 Mn N8 O6 S2
Calculated formula	C22 H22 Mn N8 O6 S2
Title of publication	Metal-Organic Frameworks with Direct Transition Metal-Sulfonate Interactions and Charge-Assisted Hydrogen Bonds
Authors of publication	Tori Z. Forbes; Slavi C. Sevov
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6873 - 6878
a	9.7695 ± 0.0002 Å
b	17.079 ± 0.0004 Å
c	15.4616 ± 0.0004 Å
α	90°
β	100.432 ± 0.001°
γ	90°
Cell volume	2537.18 ± 0.1 Å³
Cell temperature	117 ± 2 K
Ambient diffraction temperature	117 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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