Crystallography Open Database

Information card for entry 4506686

Preview

Coordinates	4506686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H141 N19 O20
Calculated formula	C66 H141 N19 O20
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	21.4165 ± 0.0003 Å
b	15.9064 ± 0.0003 Å
c	27.0558 ± 0.0005 Å
α	90°
β	109.177 ± 0.001°
γ	90°
Cell volume	8705.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0913
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.2291
Weighted residual factors for all reflections included in the refinement	0.2449
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179602 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/66.	4506686.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506686.cif
71424	2013-01-19	cif/ Correcting misattributed bibliographies in the CIFs deposited yesterday by me.	4506686.cif
71412	2013-01-18	cif/ Adding structures of 4506683, 4506684, 4506685, 4506686 via cif-deposit CGI script.	4506686.cif