Crystallography Open Database

Information card for entry 4506684

Preview

Coordinates	4506684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H122 N14 O19
Calculated formula	C51 H122 N14 O19
Title of publication	Anionic Host Layers Constructed with Guanidinium‒Hydrogen Carbonate Dimer 2:1 Rosette-Ribbons and Bridging Carboxylate Connectors
Authors of publication	Han, Jie; Yau, Chung-Wah; Chan, Chin Wing; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	9
Pages of publication	4457
a	12.8302 ± 0.001 Å
b	13.7334 ± 0.0011 Å
c	22.2613 ± 0.0018 Å
α	77.353 ± 0.002°
β	74.65 ± 0.002°
γ	74.333 ± 0.002°
Cell volume	3595.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1724
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2098
Weighted residual factors for all reflections included in the refinement	0.2478
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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