Crystallography Open Database

Information card for entry 7102973

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Coordinates	7102973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H112 Cu1.5 N5 O25
Calculated formula	C91 H82 Cu1.5 N3 O19
Title of publication	A soft coordination polymer derived from container molecule ligands.
Authors of publication	Mough, Scott T; Holman, K Travis
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal issue	12
Pages of publication	1407 - 1409
a	52.867 ± 0.01 Å
b	16.102 ± 0.003 Å
c	23.17 ± 0.004 Å
α	90°
β	102.582 ± 0.003°
γ	90°
Cell volume	19250 ± 6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1283
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1779
Weighted residual factors for all reflections included in the refinement	0.1986
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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