Crystallography Open Database

Information card for entry 4500725

Preview

Coordinates	4500725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H33 I3 N4 S3
Calculated formula	C21 H33 I3 N4 S3
Title of publication	A C Symmetric Nitrate Complex with a Thiophene-Based Tripodal Receptor.
Authors of publication	Işiklan, Muhammet; Saeed, Musabbir A.; Pramanik, Avijit; Wong, Bryan M.; Fronczek, Frank R.; Hossain, Alamgir
Journal of publication	Crystal growth & design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	959 - 963
a	10.5433 ± 0.0005 Å
b	11.4203 ± 0.0006 Å
c	24.5107 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2951.3 ± 0.3 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4500725.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500725.cif
34609	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500725 via cif-deposit CGI script.	4500725.cif