Crystallography Open Database

Information card for entry 7035524

Preview

Coordinates	7035524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H29 Cl9 F9 N6 O15.5 S3 Yb
Calculated formula	C36.5 H29 Cl9 F9 N6 O15.5 S3 Yb
Title of publication	Structural features and near infra-red (NIR) luminescence of isomeric Yb(iii) bipyridyl-N,N'-dioxide coordination polymers.
Authors of publication	Sequeira, Gail M.; Tan, Wayne Y.; Moore, Evan G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	29
Pages of publication	13378 - 13383
a	11.2221 ± 0.0008 Å
b	16.3393 ± 0.0012 Å
c	17.6442 ± 0.0011 Å
α	65.394 ± 0.007°
β	76.958 ± 0.006°
γ	74.365 ± 0.006°
Cell volume	2808.8 ± 0.4 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1181
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for significantly intense reflections	0.2689
Weighted residual factors for all reflections included in the refinement	0.2888
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7035524.cif
153196	2015-08-08	cif/ Updating files of 7035522, 7035523, 7035524, 7035525 Original log message: Adding full bibliography for 7035522--7035525.cif.	7035524.cif
139619	2015-06-25	cif/ Adding structures of 7035522, 7035523, 7035524, 7035525 via cif-deposit CGI script.	7035524.cif