Crystallography Open Database

Information card for entry 7029351

Preview

Coordinates	7029351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H68 Cl6 N24 O29 Tm2
Calculated formula	C36 H68 Cl6 N24 O29 Tm2
Title of publication	New lanthanide-CB[6] coordination compounds: relationships between the crystal structure and luminescent properties.
Authors of publication	da Silva, Fausthon F.; de Oliveira, Carlos A. F.; Falcão, Eduardo H L; Chojnacki, Jaroslaw; Neves, Jorge L.; Alves, S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	14
Pages of publication	5435 - 5442
a	12.1396 ± 0.0003 Å
b	19.5834 ± 0.0004 Å
c	14.6748 ± 0.0004 Å
α	90°
β	112.69 ± 0.003°
γ	90°
Cell volume	3218.7 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179999 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/93.	7029351.cif
107128	2014-03-18	cif/ Adding structures of 7029348, 7029349, 7029350, 7029351 via cif-deposit CGI script.	7029351.cif