Crystallography Open Database

Information card for entry 4512236

Preview

Coordinates	4512236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H46 Cd3 I12 N4 O12
Calculated formula	C68 H46 Cd3 I12 N4 O12
Title of publication	Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid
Authors of publication	Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	12
Pages of publication	6325
a	16.7029 ± 0.0006 Å
b	19.4272 ± 0.0006 Å
c	26.6145 ± 0.0014 Å
α	90°
β	100.149 ± 0.004°
γ	90°
Cell volume	8501 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0823
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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