Crystallography Open Database

Information card for entry 7103274

Preview

Coordinates	7103274.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CompoundD
Formula	C126 H60 Br12 N6 O24 Zn6
Calculated formula	C126 H60 Br12 N6 O24 Zn6
Title of publication	Ligand-elaboration as a strategy for engendering structural diversity in porous metal-organic framework compounds.
Authors of publication	Gadzikwa, Tendai; Zeng, Bi-Shun; Hupp, Joseph T; Nguyen, Sonbinh T
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal issue	31
Pages of publication	3672 - 3674
a	14.0828 ± 0.0009 Å
b	28.2518 ± 0.0018 Å
c	21.4518 ± 0.0014 Å
α	90°
β	93.56 ± 0.001°
γ	90°
Cell volume	8518.4 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	0.913
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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