Crystallography Open Database

Information card for entry 4327241

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Coordinates	4327241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H97 Cl15 Cu2 N20 O31
Calculated formula	C104 H97 Cl15 Cu2 N20 O31
Title of publication	Assembly of Trigonal and Tetragonal Prismatic Cages from Octahedral Metal Ions and a Flexible Molecular Clip
Authors of publication	Zhi-Min Liu; Yu Liu; Sheng-Run Zheng; Zhi-Quan Yu; Mei Pan; Cheng-Yong Su
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	5814 - 5816
a	12.361 ± 0.003 Å
b	14.5562 ± 0.0018 Å
c	18.766 ± 0.003 Å
α	97.043 ± 0.011°
β	93.595 ± 0.014°
γ	111.148 ± 0.015°
Cell volume	3104.5 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1426
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.1992
Weighted residual factors for all reflections included in the refinement	0.2173
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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