Crystallography Open Database

Information card for entry 4506683

Preview

Coordinates	4506683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H147 N12 O18
Calculated formula	C75 H147 N12 O18
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	16.7762 ± 0.0007 Å
b	17.0105 ± 0.0007 Å
c	18.3171 ± 0.0008 Å
α	73.789 ± 0.001°
β	65.33 ± 0.001°
γ	72.134 ± 0.001°
Cell volume	4451.5 ± 0.3 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	0.1564
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2388
Weighted residual factors for all reflections included in the refinement	0.2812
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4506683.html