Crystallography Open Database

Information card for entry 4507003

Preview

Coordinates	4507003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 N4 O9
Calculated formula	C17 H22 N4 O9
Title of publication	Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts
Authors of publication	Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	12
Pages of publication	5864
a	13.6068 ± 0.0008 Å
b	21.642 ± 0.0016 Å
c	7.2516 ± 0.0004 Å
α	90°
β	114.749 ± 0.002°
γ	90°
Cell volume	1939.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179606 (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 4/50/70.	4507003.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507003.cif
71925	2013-01-21	cif/ Adding structures of 4507003 via cif-deposit CGI script.	4507003.cif