Crystallography Open Database

Information card for entry 4305968

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Coordinates	4305968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C162 H222 Cl Co2 O30 Rb3
Calculated formula	C162 H168 Cl1.00006 Co2 O30 Rb3
Title of publication	A Noncentrosymmetric 3D Coordination Polymer of Metallocalix[4]arene
Authors of publication	Yu-Juan Liu; Jie-Sheng Huang; Stephen Sin-Yin Chui; Cheng-Hui Li; Jing-Lin Zuo; Nianyong Zhu; Chi-Ming Che
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11514 - 11518
a	27.083 ± 0.005 Å
b	27.083 ± 0.005 Å
c	27.083 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	19865 ± 6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	199
Hermann-Mauguin space group symbol	I 21 3
Hall space group symbol	I 2b 2c 3
Residual factor for all reflections	0.1962
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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