Crystallography Open Database

Information card for entry 4510808

Preview

Coordinates	4510808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H64 N O8
Calculated formula	C63 H64 N O8
Title of publication	Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)
Authors of publication	Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	1
Pages of publication	1
a	30.315 ± 0.01 Å
b	18.54 ± 0.005 Å
c	25.319 ± 0.008 Å
α	90°
β	118.325 ± 0.004°
γ	90°
Cell volume	12527 ± 7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1896
Residual factor for significantly intense reflections	0.1201
Weighted residual factors for significantly intense reflections	0.2907
Weighted residual factors for all reflections included in the refinement	0.3192
Goodness-of-fit parameter for all reflections included in the refinement	1.342
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179655 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/08.	4510808.cif
113185	2014-05-08	cif/ Adding structures of 4510808 via cif-deposit CGI script.	4510808.cif