Crystallography Open Database

Information card for entry 7200299

7200298 << 7200299 >> 7200300

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Coordinates	7200299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H88.39 Mn N10 O40.7 S8
Calculated formula	C84 H52 Mn N10 O40.686 S8
Title of publication	Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations
Authors of publication	Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	4
Pages of publication	597
a	15.7743 ± 0.0007 Å
b	23.2212 ± 0.001 Å
c	27.8391 ± 0.0012 Å
α	102.911 ± 0.001°
β	101.887 ± 0.001°
γ	97.072 ± 0.001°
Cell volume	9572.3 ± 0.7 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1341
Residual factor for significantly intense reflections	0.0893
Weighted residual factors for significantly intense reflections	0.2588
Weighted residual factors for all reflections included in the refinement	0.2884
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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