Crystallography Open Database

Information card for entry 7004465

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Coordinates	7004465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H210 B70 O7
Calculated formula	C117 H210 B70 O7
Title of publication	Carborane inclusion chemistry for the uncommon calix[7,9]arenes
Authors of publication	Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	36
Pages of publication	4855 - 4859
a	20.5027 ± 0.0003 Å
b	21.7961 ± 0.0002 Å
c	34.1117 ± 0.0004 Å
α	90°
β	97.009 ± 0.001°
γ	90°
Cell volume	15129.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1528
Residual factor for significantly intense reflections	0.105
Weighted residual factors for significantly intense reflections	0.2747
Weighted residual factors for all reflections included in the refinement	0.319
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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