Crystallography Open Database

Information card for entry 7052123

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Coordinates	7052123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H198 N20 O88 S16
Calculated formula	C212 H134 N20 O88 S16
Title of publication	Solution and solid state interplay of isomeric 4?-(pyridyl)-3,2?:6?,3?-terpyridines with p-sulfonatocalix[4]arene
Authors of publication	Smith, Christopher B.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	4
Pages of publication	535
a	17.349 ± 0.002 Å
b	33.402 ± 0.004 Å
c	42.855 ± 0.005 Å
α	90°
β	93.069 ± 0.002°
γ	90°
Cell volume	24798 ± 5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.3617
Residual factor for significantly intense reflections	0.2234
Weighted residual factors for significantly intense reflections	0.4862
Weighted residual factors for all reflections included in the refinement	0.5783
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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