Crystallography Open Database

Information card for entry 4511284

Preview

Coordinates	4511284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H58 Cu3 N12 O21
Calculated formula	C54 H46 Cu3 N12 O16
Title of publication	Two-Dimensional Coordination Polymers Comprising Mixed Tripodal Ligands for Selective Colorimetric Detection of Water and Iodine Capture
Authors of publication	Rachuri, Yadagiri; Bisht, Kamal Kumar; Suresh, Eringathodi
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3300
a	8.7506 ± 0.0015 Å
b	10.73 ± 0.0018 Å
c	18.933 ± 0.003 Å
α	92.997 ± 0.003°
β	103.096 ± 0.003°
γ	102.456 ± 0.003°
Cell volume	1681.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179659 (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 4/51/12.	4511284.cif
119038	2014-07-05	cif/ Updating files of 4511283, 4511284 Original log message: Adding full bibliography for 4511283--4511284.cif.	4511284.cif
116327	2014-06-10	cif/ Adding structures of 4511283, 4511284 via cif-deposit CGI script.	4511284.cif