Crystallography Open Database

Information card for entry 4507000

Preview

Coordinates	4507000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 Br2 N2 O4
Calculated formula	C17 H20 Br2 N2 O4
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	31.452 ± 0.014 Å
b	8.566 ± 0.004 Å
c	14.084 ± 0.006 Å
α	90°
β	94.166 ± 0.012°
γ	90°
Cell volume	3784 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0902
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4507000.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507000.cif
71922	2013-01-21	cif/ Adding structures of 4507000 via cif-deposit CGI script.	4507000.cif