Crystallography Open Database

Information card for entry 4338210

Preview

Coordinates	4338210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H63 Cd2 Cl3 N14 O15
Calculated formula	C40 H55 Cd2 Cl3 N14 O15
Title of publication	Modulating the Sensor Response to Halide Using NBD-Based Azamacrocycles.
Authors of publication	Amatori, Stefano; Ambrosi, Gianluca; Borgogelli, Elisa; Fanelli, Mirco; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia; Tassoni, Aurora
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	9
Pages of publication	4560 - 4569
a	14.3766 ± 0.001 Å
b	15.174 ± 0.0008 Å
c	15.8393 ± 0.0011 Å
α	62.625 ± 0.006°
β	63.908 ± 0.007°
γ	65.876 ± 0.006°
Cell volume	2661.7 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179485 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/82.	4338210.cif
115781	2014-06-05	cif/ Updating files of 4338210 Original log message: Adding full bibliography for 4338210.cif.	4338210.cif
111624	2014-04-25	cif/ Adding structures of 4338210 via cif-deposit CGI script.	4338210.cif